3-(2-methoxy-5-methyl-phenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-(2-methoxy-5-methyl-phenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C27H23N3O4S MolecularWeight: 485.55422

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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=C2SCC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H23N3O4S/c1-16-8-13-23(34-3)21(14-16)30-26(32)25-24(19-6-4-5-7-20(19)28-25)29-27(30)35-15-22(31)17-9-11-18(33-2)12-10-17/h4-14,28H,15H2,1-3H3