(Q27094750)

3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM (English)

19 October 2016

chemical formula

C₁₂H₁₇N₄O₃S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CSCC1C(C(C([NH2+]1)C2=CNC3=C2NC=NC3=O)O)O

1 reference

3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM (English)

19 October 2016

isomeric SMILES

CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)C2=CNC3=C2NC=NC3=O)O)O

1 reference

3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM (English)

InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/p+1/t6-,8+,10-,11+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM (English)

CEGIKIXYDFDYDN-RXDXJJGDSA-O

19 October 2016

InChIKey

1 reference

3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM (English)

19 October 2016

1 reference

(2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium (English)

19 October 2016

1 reference

3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM (English)

19 October 2016

1 reference

MT-Immucillin-H (English)

4 October 2016

0 references

0 references

1 reference

1Q1G (English)