2-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H21ClN4O4S3 MolecularWeight: 477.02104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H21ClN4O4S3/c1-2-3-12-10-14(23)20-17(19-12)27-11-15(24)21-6-8-22(9-7-21)29(25,26)16-5-4-13(18)28-16/h4-5,10H,2-3,6-9,11H2,1H3,(H,19,20,23)