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

Systemtic Name: 1,3-dimethyl-7-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(4-nicotinoylpiperazino)propyl]xanthine Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H25N7O3/c1-23-17-16(19(29)24(2)20(23)30)27(14-22-17)8-4-7-25-9-11-26(12-10-25)18(28)15-5-3-6-21-13-15/h3,5-6,13-14H,4,7-12H2,1-2H3