4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrido[2,1-b]purine-2-thione

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrido[2,1-b]purine-2-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrido[2,1-b]purine-2-thione CAS Name: 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrido[2,1-b]purine-2-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrido[2,1-b]purine-2-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-1,3-diphenyl-4H-pyrido[2,1-b]purine-2-thione Formula: C29H24N4O2S MolecularWeight: 492.59146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(N4C=CC=CC4=N2)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(N4C=CC=CC4=N2)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6)OC

InChI

InChI=1S/C29H24N4O2S/c1-34-23-17-16-20(19-24(23)35-2)26-27-28(31-18-10-9-15-25(31)30-26)33(22-13-7-4-8-14-22)29(36)32(27)21-11-5-3-6-12-21/h3-19,26H,1-2H3