1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C23H25N5O3/c1-25(14-16-10-6-4-7-11-16)22-24-20-19(21(30)27(3)23(31)26(20)2)28(22)15-18(29)17-12-8-5-9-13-17/h4-13,18,29H,14-15H2,1-3H3