2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N5O4S- MolecularWeight: 416.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H23N5O4S/c1-2-5-14-12-17(25)21-19(20-14)29-13-18(26)23-10-8-22(9-11-23)15-6-3-4-7-16(15)24(27)28/h3-4,6-7,12H,2,5,8-11,13H2,1H3,(H,20,21,25)/p-1