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

Systemtic Name: 3-methyl-8-(methylamino)-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3-methyl-8-(methylamino)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-8-(methylamino)-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 3-methyl-8-(methylamino)-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-methyl-8-(methylamino)-7-(4-methylbenzyl)xanthine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NC)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NC)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H17N5O2/c1-9-4-6-10(7-5-9)8-20-11-12(17-14(20)16-2)19(3)15(22)18-13(11)21/h4-7H,8H2,1-3H3,(H,16,17)(H,18,21,22)