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

Systemtic Name: 1,3-dimethyl-7-[3-oxidanylidene-3-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-oxo-3-[4-(piperidine-1-carbonyl)-1-piperidyl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-oxo-3-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-oxo-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]propyl]purine-2,6-dione Traditional Name: 7-[3-keto-3-[4-(piperidine-1-carbonyl)piperidino]propyl]-1,3-dimethyl-xanthine Formula: C21H30N6O4 MolecularWeight: 430.5007

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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)C(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H30N6O4/c1-23-18-17(20(30)24(2)21(23)31)27(14-22-18)13-8-16(28)25-11-6-15(7-12-25)19(29)26-9-4-3-5-10-26/h14-15H,3-13H2,1-2H3