1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[(3-methylphenyl)amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[(3-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(m-toluidino)xanthine Formula: C24H27N5O4 MolecularWeight: 449.50228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H27N5O4/c1-15-8-7-10-17(12-15)25-23-26-21-20(22(31)28(4)24(32)27(21)3)29(23)13-18(30)14-33-19-11-6-5-9-16(19)2/h5-12,18,30H,13-14H2,1-4H3,(H,25,26)