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

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CCO)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CCO)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H19N5O3/c1-10-3-5-11(6-4-10)9-17-15-18-13-12(21(15)7-8-22)14(23)19-16(24)20(13)2/h3-6,22H,7-9H2,1-2H3,(H,17,18)(H,19,23,24)