N-(3,4-dimethylphenyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[6-[(phenylmethyl)amino]purin-9-yl]ethanamide Openeye Name: 2-[6-(benzylamino)purin-9-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[6-[(phenylmethyl)amino]-9-purinyl]acetamide IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[6-(benzylamino)purin-9-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N6O/c1-15-8-9-18(10-16(15)2)27-19(29)12-28-14-26-20-21(24-13-25-22(20)28)23-11-17-6-4-3-5-7-17/h3-10,13-14H,11-12H2,1-2H3,(H,27,29)(H,23,24,25)