3-(4-methoxyphenyl)-2-(1-phenylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-(1-phenylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-methoxyphenyl)-2-(1-phenylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methoxyphenyl)-2-(1-phenylethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-(1-phenylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-methoxyphenyl)-2-(1-phenylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)NC5=CC=CC=C53

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)NC5=CC=CC=C53

InChI

InChI=1S/C25H21N3O2S/c1-16(17-8-4-3-5-9-17)31-25-27-22-20-10-6-7-11-21(20)26-23(22)24(29)28(25)18-12-14-19(30-2)15-13-18/h3-16,26H,1-2H3