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

Systemtic Name: 1,3-bis(4-chlorophenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione Openeye Name: 1,3-bis(4-chlorophenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione CAS Name: 1,3-bis(4-chlorophenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione IUPAC Name: 1,3-bis(4-chlorophenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione Traditional Name: 1,3-bis(4-chlorophenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione Formula: C27H17Cl2N5O2S MolecularWeight: 546.42718

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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(=CC=C6)[N+](=O)[O-]

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(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H17Cl2N5O2S/c28-18-7-11-20(12-8-18)32-25-24(17-4-3-5-22(16-17)34(35)36)30-23-6-1-2-15-31(23)26(25)33(27(32)37)21-13-9-19(29)10-14-21/h1-16,24H