[4-(methylamino)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3/c1-17-13-4-3-12(11-14(13)22(24)25)15(23)20-7-9-21(10-8-20)16-18-5-2-6-19-16/h2-6,11,17H,7-10H2,1H3