Chemical Component Summary

Name2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
Identifiers2-azanyl-5-phenylsulfanyl-3,9-dihydropyrimido[4,5-b]indol-4-one
FormulaC16 H12 N4 O S
Molecular Weight308.358
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N
InChIInChI=1S/C16H12N4OS/c17-16-19-14-13(15(21)20-16)12-10(18-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H4,17,18,19,20,21)
InChIKeyRURPYDOTPJEGPP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count37
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL3099580
PubChem 72725265, 135566834
ChEMBL CHEMBL3099580