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

Systemtic Name: 1,3,4-tris(4-chlorophenyl)-4H-pyrido[2,1-b]purine-2-thione Openeye Name: 1,3,4-tris(4-chlorophenyl)-4H-pyrido[2,1-b]purine-2-thione CAS Name: 1,3,4-tris(4-chlorophenyl)-4H-pyrido[2,1-b]purine-2-thione IUPAC Name: 1,3,4-tris(4-chlorophenyl)-4H-pyrido[2,1-b]purine-2-thione Traditional Name: 1,3,4-tris(4-chlorophenyl)-4H-pyrido[2,1-b]purine-2-thione Formula: C27H17Cl3N4S MolecularWeight: 535.87468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(C3=C(N2C=C1)N(C(=S)N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC2=NC(C3=C(N2C=C1)N(C(=S)N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H17Cl3N4S/c28-18-6-4-17(5-7-18)24-25-26(32-16-2-1-3-23(32)31-24)34(22-14-10-20(30)11-15-22)27(35)33(25)21-12-8-19(29)9-13-21/h1-16,24H