(Q27464817)

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₃N₃O₈P₂S

1 reference

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

19 October 2016

canonical SMILES

CC1=C(SC(=C1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O

1 reference

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

19 October 2016

isomeric SMILES

CC1=C(SC(=C1CC2=CN=C(N=C2N)C)[C@@H](C)O)CCOP(=O)(O)OP(=O)(O)O

1 reference

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

ORVRYSKZCUVOLA-SECBINFHSA-N

19 October 2016

InChIKey

1 reference

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

19 October 2016

1 reference

2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate (English)

19 October 2016

1 reference

2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate (English)

19 October 2016

1 reference

0 references

1 reference

2VBG (English)

19 October 2016

1 reference

3DUF (English)

19 October 2016

1 reference

2Q5L (English)