3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(COC4=CC=CC=C4C)O)C(=O)NC(=O)N3C

InChI

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