2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S2/c1-2-4-13-11-15(23)20-18(19-13)27-12-16(24)21-6-8-22(9-7-21)17(25)14-5-3-10-26-14/h3,5,10-11H,2,4,6-9,12H2,1H3,(H,19,20,23)