1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl]purine-2,6-dione Openeye Name: 7-[(1R)-1-benzoylpropyl]-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperidinyl)-7-[(2R)-1-oxo-1-phenylbutan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[(2R)-1-oxo-1-phenylbutan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-1-benzoylpropyl]-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCC(CC4)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC[C@H](C(=O)C1=CC=CC=C1)N2C3=C(N=C2N4CCC(CC4)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H29N5O3/c1-5-17(19(29)16-9-7-6-8-10-16)28-18-20(25(3)23(31)26(4)21(18)30)24-22(28)27-13-11-15(2)12-14-27/h6-10,15,17H,5,11-14H2,1-4H3/t17-/m1/s1