1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(methylamino)-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(methylamino)-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(methylamino)-7-(3-methylbenzyl)xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H19N5O2/c1-10-6-5-7-11(8-10)9-21-12-13(18-15(21)17-2)19(3)16(23)20(4)14(12)22/h5-8H,9H2,1-4H3,(H,17,18)