(4-methylsulfanyl-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-25-14-4-3-12(11-13(14)21(23)24)15(22)19-7-9-20(10-8-19)16-17-5-2-6-18-16/h2-6,11H,7-10H2,1H3