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

Systemtic Name: 7-(2-hydroxyethyl)-8-[(4-methoxyphenyl)amino]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-(4-methoxyanilino)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(4-methoxyanilino)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-8-(4-methoxyanilino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-(p-anisidino)xanthine Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)OC)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)OC)CCO

InChI

InChI=1S/C15H17N5O4/c1-19-12-11(13(22)18-15(19)23)20(7-8-21)14(17-12)16-9-3-5-10(24-2)6-4-9/h3-6,21H,7-8H2,1-2H3,(H,16,17)(H,18,22,23)