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

Systemtic Name: 1,3-dimethyl-7-[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(1R)-1-benzoylpropyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(1R)-1-benzoylpropyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-4-16(18(28)15-11-7-5-8-12-15)27-17-19(24(2)22(30)25(3)20(17)29)23-21(27)26-13-9-6-10-14-26/h5,7-8,11-12,16H,4,6,9-10,13-14H2,1-3H3/t16-/m1/s1