6-methyl-5-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]-6-methyl-2-thioxo-1H-pyrimidin-4-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H21N5O2S/c1-12-13(16(24)20-17(25)19-12)5-6-15(23)22-10-8-21(9-11-22)14-4-2-3-7-18-14/h2-4,7H,5-6,8-11H2,1H3,(H2,19,20,24,25)