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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(2-methoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(2-methoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(2-methoxyethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(2-methoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(2-methoxyethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

Isomeric SMILES

COCCSC1=NC2=C(C(=O)N1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C42

InChI

InChI=1S/C21H21N3O4S/c1-26-10-11-29-21-23-18-14-6-4-5-7-15(14)22-19(18)20(25)24(21)13-8-9-16(27-2)17(12-13)28-3/h4-9,12,22H,10-11H2,1-3H3