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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C24H27N5O4/c1-16-8-6-7-11-19(16)33-15-18(30)14-29-20-21(28(2)24(32)27-22(20)31)26-23(29)25-13-12-17-9-4-3-5-10-17/h3-11,18,30H,12-15H2,1-2H3,(H,25,26)(H,27,31,32)