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

Systemtic Name: 7-ethyl-3-methyl-8-[(4-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(4-methylanilino)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(4-methylanilino)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(4-methylanilino)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(p-toluidino)xanthine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H17N5O2/c1-4-20-11-12(19(3)15(22)18-13(11)21)17-14(20)16-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3,(H,16,17)(H,18,21,22)