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

Systemtic Name: 2-(2-ethoxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-ethoxyethylsulfanyl)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(2-ethoxyethylthio)-3-(2-methoxy-5-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-ethoxyethylsulfanyl)-3-(2-methoxy-5-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(2-ethoxyethylthio)-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

Isomeric SMILES

CCOCCSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)OC)NC4=CC=CC=C42

InChI

InChI=1S/C22H23N3O3S/c1-4-28-11-12-29-22-24-19-15-7-5-6-8-16(15)23-20(19)21(26)25(22)17-13-14(2)9-10-18(17)27-3/h5-10,13,23H,4,11-12H2,1-3H3