2-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-4,5-dihydropyridazin-3-one

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 2-(1,1-dioxothiolan-3-yl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one CAS Name: 2-(1,1-dioxo-3-thiolanyl)-6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4,5-dihydropyridazin-3-one IUPAC Name: 2-(1,1-dioxothiolan-3-yl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one Traditional Name: 2-(1,1-diketothiolan-3-yl)-6-[4-(2-pyrimidyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H22N6O4S/c24-15-3-2-14(20-23(15)13-4-11-28(26,27)12-13)16(25)21-7-9-22(10-8-21)17-18-5-1-6-19-17/h1,5-6,13H,2-4,7-12H2