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2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one


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Chemical Component Summary

Name2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
Identifiers2-azanyl-5-naphthalen-1-ylsulfanyl-3,9-dihydropyrimido[4,5-b]indol-4-one
FormulaC20 H14 N4 O S
Molecular Weight358.416
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N
InChIInChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25)
InChIKeyNSASWBYEPOLHJW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count44
Aromatic Bond Count21

Related Resource References

Resource NameReference
Pharos CHEMBL3099581
PubChem 135566835, 72725330
ChEMBL CHEMBL3099581