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

Systemtic Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(4-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(p-toluidino)xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-10-4-6-11(7-5-10)17-15-18-13-12(21(15)8-9-22)14(23)20(3)16(24)19(13)2/h4-7,22H,8-9H2,1-3H3,(H,17,18)