2-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]pyrimidin-4-olate

Systemtic Name: 2-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]pyrimidin-4-olate CAS Name: 2-[[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]thio]-6-[[(4-chlorophenyl)thio]methyl]-4-pyrimidinolate IUPAC Name: 2-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-[(4-chlorophenyl)sulfanylmethyl]pyrimidin-4-olate Traditional Name: 2-[[2-(4-carbamoylpiperidino)-2-keto-ethyl]thio]-6-[[(4-chlorophenyl)thio]methyl]pyrimidin-4-olate Formula: C19H20ClN4O3S2- MolecularWeight: 451.9701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O3S2/c20-13-1-3-15(4-2-13)28-10-14-9-16(25)23-19(22-14)29-11-17(26)24-7-5-12(6-8-24)18(21)27/h1-4,9,12H,5-8,10-11H2,(H2,21,27)(H,22,23,25)/p-1