8-methoxy-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-3-(phenylmethyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methoxy-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-3-(phenylmethyl)pyrimido[5,4-b]indol-4-one Openeye Name: 3-benzyl-8-methoxy-5-methyl-2-(o-tolylmethylsulfanyl)pyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-5-methyl-2-[(2-methylphenyl)methylthio]-3-(phenylmethyl)-4-pyrimido[5,4-b]indolone IUPAC Name: 3-benzyl-8-methoxy-5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyrimido[5,4-b]indol-4-one Traditional Name: 3-benzyl-8-methoxy-5-methyl-2-[(2-methylbenzyl)thio]pyrimid[5,4-b]indol-4-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

InChI

InChI=1S/C27H25N3O2S/c1-18-9-7-8-12-20(18)17-33-27-28-24-22-15-21(32-3)13-14-23(22)29(2)25(24)26(31)30(27)16-19-10-5-4-6-11-19/h4-15H,16-17H2,1-3H3