6-[(4-chlorophenyl)methylamino]-9-[(4-methoxyphenyl)methyl]purine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methylamino]-9-[(4-methoxyphenyl)methyl]purine-2-carbonitrile Openeye Name: 6-[(4-chlorophenyl)methylamino]-9-[(4-methoxyphenyl)methyl]purine-2-carbonitrile CAS Name: 6-[(4-chlorophenyl)methylamino]-9-[(4-methoxyphenyl)methyl]-2-purinecarbonitrile IUPAC Name: 6-[(4-chlorophenyl)methylamino]-9-[(4-methoxyphenyl)methyl]purine-2-carbonitrile Traditional Name: 6-[(4-chlorobenzyl)amino]-9-p-anisyl-purine-2-carbonitrile Formula: C21H17ClN6O MolecularWeight: 404.85228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H17ClN6O/c1-29-17-8-4-15(5-9-17)12-28-13-25-19-20(26-18(10-23)27-21(19)28)24-11-14-2-6-16(22)7-3-14/h2-9,13H,11-12H2,1H3,(H,24,26,27)