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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC(=C5)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC(=C5)C)C

InChI

InChI=1S/C27H25N3O2S/c1-4-32-21-13-11-20(12-14-21)30-26(31)25-24(22-7-5-6-8-23(22)28-25)29-27(30)33-16-19-15-17(2)9-10-18(19)3/h5-15,28H,4,16H2,1-3H3