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

Systemtic Name: 1,3,7-trimethyl-8-[methyl-(1-oxidanyl-1-phenyl-propan-2-yl)amino]purine-2,6-dione Openeye Name: 8-[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-1,3,7-trimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)N(C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H23N5O3/c1-11(14(24)12-9-7-6-8-10-12)20(2)17-19-15-13(21(17)3)16(25)23(5)18(26)22(15)4/h6-11,14,24H,1-5H3