1,3-dimethyl-7-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2R)-1-oxo-1-phenylpropan-2-yl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2R)-1-oxo-1-phenylpropan-2-yl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-methyl-2-phenyl-ethyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H25N5O3/c1-14(17(27)15-10-6-4-7-11-15)26-16-18(23(2)21(29)24(3)19(16)28)22-20(26)25-12-8-5-9-13-25/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3/t14-/m1/s1