1,3-dimethyl-7-[[(1-oxidanyl-1-phenyl-propan-2-yl)amino]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[(1-oxidanyl-1-phenyl-propan-2-yl)amino]methyl]purine-2,6-dione Openeye Name: 7-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]methyl]-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)NCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O3/c1-11(14(23)12-7-5-4-6-8-12)18-9-22-10-19-15-13(22)16(24)21(3)17(25)20(15)2/h4-8,10-11,14,18,23H,9H2,1-3H3