1,3-dimethyl-7-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[2-(p-tolyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[2-(4-methylphenyl)-4-oxazolyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[2-(p-tolyl)oxazol-4-yl]methyl]xanthine Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H17N5O3/c1-11-4-6-12(7-5-11)16-20-13(9-26-16)8-23-10-19-15-14(23)17(24)22(3)18(25)21(15)2/h4-7,9-10H,8H2,1-3H3