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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(2-hydroxyethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCO)OC

InChI

InChI=1S/C20H19N3O4S/c1-26-15-8-7-12(11-16(15)27-2)23-19(25)18-17(22-20(23)28-10-9-24)13-5-3-4-6-14(13)21-18/h3-8,11,21,24H,9-10H2,1-2H3