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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1,3-bis(4-methylphenyl)-4H-pyrido[2,1-b]purine-2-thione Openeye Name: 4-(3,4-dimethoxyphenyl)-1,3-bis(p-tolyl)-4H-pyrido[2,1-b]purine-2-thione CAS Name: 4-(3,4-dimethoxyphenyl)-1,3-bis(4-methylphenyl)-4H-pyrido[2,1-b]purine-2-thione IUPAC Name: 4-(3,4-dimethoxyphenyl)-1,3-bis(4-methylphenyl)-4H-pyrido[2,1-b]purine-2-thione Traditional Name: 4-(3,4-dimethoxyphenyl)-1,3-bis(p-tolyl)-4H-pyrido[2,1-b]purine-2-thione Formula: C31H28N4O2S MolecularWeight: 520.64462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(N4C=CC=CC4=NC3C5=CC(=C(C=C5)OC)OC)N(C2=S)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(N4C=CC=CC4=NC3C5=CC(=C(C=C5)OC)OC)N(C2=S)C6=CC=C(C=C6)C

InChI

InChI=1S/C31H28N4O2S/c1-20-8-13-23(14-9-20)34-29-28(22-12-17-25(36-3)26(19-22)37-4)32-27-7-5-6-18-33(27)30(29)35(31(34)38)24-15-10-21(2)11-16-24/h5-19,28H,1-4H3