(Q27459693)

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

19 October 2016

chemical formula

C₁₁H₂₀N₄O₈P₂S

1 reference

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

19 October 2016

canonical SMILES

CC1=NC=C(C(=N1)N)CNC(=C(C(COP(=O)(O)OP(=O)(O)O)O)S)C

1 reference

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

19 October 2016

isomeric SMILES

CC1=NC=C(C(=N1)N)CN/C(=C(/[C@@H](COP(=O)(O)OP(=O)(O)O)O)\S)/C

1 reference

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

InChI=1S/C11H20N4O8P2S/c1-6(13-3-8-4-14-7(2)15-11(8)12)10(26)9(16)5-22-25(20,21)23-24(17,18)19/h4,9,13,16,26H,3,5H2,1-2H3,(H,20,21)(H2,12,14,15)(H2,17,18,19)/b10-6-/t9-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

XHCFSNVIKLFNIT-WPVMNKCKSA-N

19 October 2016

InChIKey

1 reference

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

19 October 2016

1 reference

(2R,3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-2-hydroxy-3-sulfanyl-3-penten-1-yl trihydrogen diphosphate (English)

19 October 2016

2 references

MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER (English)

matched by identifier from

19 October 2016

InChIKey

XHCFSNVIKLFNIT-WPVMNKCKSA-N

1 reference

0 references

1 reference

1ZPD (English)