4CT

(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol



Chemical Component Summary

Name(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
Identifiers(1S,3R,4S)-1-[(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(4-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol
FormulaC18 H20 Cl N5 O S
Molecular Weight389.902
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl
InChIInChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)/t12-,15+/m1/s1
InChIKeyMZZBHZOHYGEGEE-DOMZBBRYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count2
Bond Count49
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 9952319
ChEMBL CHEMBL1230265