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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(4-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)NC5=CC=CC=C53

InChI

InChI=1S/C26H23N3O2S/c1-16-8-9-17(2)18(14-16)15-32-26-28-23-21-6-4-5-7-22(21)27-24(23)25(30)29(26)19-10-12-20(31-3)13-11-19/h4-14,27H,15H2,1-3H3