3-(3,4-dimethoxyphenyl)-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-(3,4-dimethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-(3,4-dimethoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

Isomeric SMILES

CC(=O)CSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

InChI

InChI=1S/C21H19N3O4S/c1-12(25)11-29-21-23-18-14-6-4-5-7-15(14)22-19(18)20(26)24(21)13-8-9-16(27-2)17(10-13)28-3/h4-10,22H,11H2,1-3H3