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

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-3,7-dimethyl-xanthine Formula: C17H20N8O3 MolecularWeight: 384.3925

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N8O3/c1-21-11-20-14-13(21)15(27)25(17(28)22(14)2)10-12(26)23-6-8-24(9-7-23)16-18-4-3-5-19-16/h3-5,11H,6-10H2,1-2H3