9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purine-6-carbonitrile

Systemtic Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purine-6-carbonitrile Openeye Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purine-6-carbonitrile CAS Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-purinecarbonitrile IUPAC Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purine-6-carbonitrile Traditional Name: 9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purine-6-carbonitrile Formula: C18H8Cl3N5 MolecularWeight: 400.64862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NC3=C(N=CN=C32)C#N)C4=C(C=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=NC3=C(N=CN=C32)C#N)C4=C(C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C18H8Cl3N5/c19-10-1-4-12(5-2-10)26-17(13-6-3-11(20)7-14(13)21)25-16-15(8-22)23-9-24-18(16)26/h1-7,9H