G8G

(3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate



Chemical Component Summary

Name(3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate
Identifiers[(~{Z})-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-sulfanyl-pent-3-enyl] phosphono hydrogen phosphate
FormulaC12 H20 N4 O8 P2 S
Molecular Weight442.322
TypeNON-POLYMER
Isomeric SMILESCc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C
InChIInChI=1S/C12H20N4O8P2S/c1-8(11(27)3-4-23-26(21,22)24-25(18,19)20)16(7-17)6-10-5-14-9(2)15-12(10)13/h5,7,27H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/b11-8-
InChIKeyODQNREFTECDKDB-FLIBITNWSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count47
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 137349411