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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-hydroxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(2-hydroxyethylthio)-3-(2-methoxy-5-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-hydroxyethylsulfanyl)-3-(2-methoxy-5-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(2-hydroxyethylthio)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCO

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCO

InChI

InChI=1S/C20H19N3O3S/c1-12-7-8-16(26-2)15(11-12)23-19(25)18-17(22-20(23)27-10-9-24)13-5-3-4-6-14(13)21-18/h3-8,11,21,24H,9-10H2,1-2H3