9-[(4-methoxyphenyl)methyl]-6-[(phenylmethyl)amino]purine-2-carbonitrile

Systemtic Name: 9-[(4-methoxyphenyl)methyl]-6-[(phenylmethyl)amino]purine-2-carbonitrile Openeye Name: 6-(benzylamino)-9-[(4-methoxyphenyl)methyl]purine-2-carbonitrile CAS Name: 9-[(4-methoxyphenyl)methyl]-6-[(phenylmethyl)amino]-2-purinecarbonitrile IUPAC Name: 6-(benzylamino)-9-[(4-methoxyphenyl)methyl]purine-2-carbonitrile Traditional Name: 6-(benzylamino)-9-p-anisyl-purine-2-carbonitrile Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O/c1-28-17-9-7-16(8-10-17)13-27-14-24-19-20(25-18(11-22)26-21(19)27)23-12-15-5-3-2-4-6-15/h2-10,14H,12-13H2,1H3,(H,23,25,26)