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

Systemtic Name: 7-(2-hydroxyethyl)-8-[(4-methoxyphenyl)amino]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-(4-methoxyanilino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(4-methoxyanilino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-8-(4-methoxyanilino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(p-anisidino)xanthine Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=C(C=C3)OC)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=C(C=C3)OC)CCO

InChI

InChI=1S/C16H19N5O4/c1-19-13-12(14(23)20(2)16(19)24)21(8-9-22)15(18-13)17-10-4-6-11(25-3)7-5-10/h4-7,22H,8-9H2,1-3H3,(H,17,18)