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

Systemtic Name: 3,7-dimethyl-8-(methylamino)-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(methylamino)-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(methylamino)-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(methylamino)-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(methylamino)-1-(4-methylbenzyl)xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NC)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NC)N(C2=O)C

InChI

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