6-[(3,4-dichlorophenyl)methylamino]-9-(phenylmethyl)purine-2-carbonitrile

Systemtic Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-[(3,4-dichlorophenyl)methylamino]purine-2-carbonitrile CAS Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-[(3,4-dichlorophenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-benzyl-6-[(3,4-dichlorobenzyl)amino]purine-2-carbonitrile Formula: C20H14Cl2N6 MolecularWeight: 409.27136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC(=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC(=C(C=C4)Cl)Cl)C#N

InChI

InChI=1S/C20H14Cl2N6/c21-15-7-6-14(8-16(15)22)10-24-19-18-20(27-17(9-23)26-19)28(12-25-18)11-13-4-2-1-3-5-13/h1-8,12H,10-11H2,(H,24,26,27)