1,3-dimethyl-8-[(4-methylphenyl)amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylphenyl)amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methylanilino)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(p-toluidino)xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H21N5O2/c1-14-9-11-16(12-10-14)22-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,22,23)