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

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[(3-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylanilino)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylanilino)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylanilino)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-(m-toluidino)xanthine Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CCO)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CCO)C(=O)NC(=O)N3C

InChI

InChI=1S/C15H17N5O3/c1-9-4-3-5-10(8-9)16-14-17-12-11(20(14)6-7-21)13(22)18-15(23)19(12)2/h3-5,8,21H,6-7H2,1-2H3,(H,16,17)(H,18,22,23)