1,3,7-trimethyl-8-[(1-oxidanyl-1-phenyl-propan-2-yl)amino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(1-oxidanyl-1-phenyl-propan-2-yl)amino]purine-2,6-dione Openeye Name: 8-[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(2-hydroxy-1-methyl-2-phenyl-ethyl)amino]-1,3,7-trimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O3/c1-10(13(23)11-8-6-5-7-9-11)18-16-19-14-12(20(16)2)15(24)22(4)17(25)21(14)3/h5-10,13,23H,1-4H3,(H,18,19)