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

Systemtic Name: 4-(4-chlorophenyl)-1,3-bis(4-methylphenyl)-4H-pyrido[2,1-b]purine-2-thione Openeye Name: 4-(4-chlorophenyl)-1,3-bis(p-tolyl)-4H-pyrido[2,1-b]purine-2-thione CAS Name: 4-(4-chlorophenyl)-1,3-bis(4-methylphenyl)-4H-pyrido[2,1-b]purine-2-thione IUPAC Name: 4-(4-chlorophenyl)-1,3-bis(4-methylphenyl)-4H-pyrido[2,1-b]purine-2-thione Traditional Name: 4-(4-chlorophenyl)-1,3-bis(p-tolyl)-4H-pyrido[2,1-b]purine-2-thione Formula: C29H23ClN4S MolecularWeight: 495.03772

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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)Cl)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)Cl)N(C2=S)C6=CC=C(C=C6)C

InChI

InChI=1S/C29H23ClN4S/c1-19-6-14-23(15-7-19)33-27-26(21-10-12-22(30)13-11-21)31-25-5-3-4-18-32(25)28(27)34(29(33)35)24-16-8-20(2)9-17-24/h3-18,26H,1-2H3