3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-xanthine Formula: C24H27N5O4 MolecularWeight: 449.50228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C24H27N5O4/c1-16-9-7-8-12-19(16)33-15-18(30)14-29-20-21(28(3)24(32)26-22(20)31)25-23(29)27(2)13-17-10-5-4-6-11-17/h4-12,18,30H,13-15H2,1-3H3,(H,26,31,32)