1,3-dimethyl-7-[3-oxidanylidene-3-(4-phenylpiperidin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-oxidanylidene-3-(4-phenylpiperidin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-oxo-3-(4-phenyl-1-piperidyl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-oxo-3-(4-phenyl-1-piperidinyl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]purine-2,6-dione Traditional Name: 7-[3-keto-3-(4-phenylpiperidino)propyl]-1,3-dimethyl-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c1-23-19-18(20(28)24(2)21(23)29)26(14-22-19)13-10-17(27)25-11-8-16(9-12-25)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3