1,3,7-trimethyl-8-[3-(4-piperidin-1-ylcarbonylpiperazin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[3-(4-piperidin-1-ylcarbonylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[3-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[3-[4-(piperidine-1-carbonyl)piperazino]propyl]xanthine Formula: C21H33N7O3 MolecularWeight: 431.53182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCN3CCN(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H33N7O3/c1-23-16(22-18-17(23)19(29)25(3)20(30)24(18)2)8-7-9-26-12-14-28(15-13-26)21(31)27-10-5-4-6-11-27/h4-15H2,1-3H3