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

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(benzylamino)-3-methyl-7-(4-methylbenzyl)xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C21H21N5O2/c1-14-8-10-16(11-9-14)13-26-17-18(25(2)21(28)24-19(17)27)23-20(26)22-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)