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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

InChI

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