1,3-dimethyl-7-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C18H21N7O3 MolecularWeight: 383.40444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H21N7O3/c1-21-16-15(17(27)22(2)18(21)28)25(12-20-16)11-14(26)24-9-7-23(8-10-24)13-5-3-4-6-19-13/h3-6,12H,7-11H2,1-2H3