2-(diphenylmethyl)sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(diphenylmethyl)sulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(diphenylmethyl)thio]-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzhydrylthio)-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C30H23N3O2S MolecularWeight: 489.58752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H23N3O2S/c1-35-23-16-10-15-22(19-23)33-29(34)27-26(24-17-8-9-18-25(24)31-27)32-30(33)36-28(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-19,28,31H,1H3