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

Systemtic Name: 1,3-dimethyl-7-[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]purine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1-phenyl-2-piperidino-ethyl]-1,3-dimethyl-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C20H23N5O3/c1-22-17-16(18(26)23(2)20(22)28)25(13-21-17)15(14-9-5-3-6-10-14)19(27)24-11-7-4-8-12-24/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3/t15-/m1/s1