[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[4-(methylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[4-(methylamino)-3-nitro-phenyl]methanone Formula: C16H17BrN6O3 MolecularWeight: 421.24858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN6O3/c1-18-13-3-2-11(8-14(13)23(25)26)15(24)21-4-6-22(7-5-21)16-19-9-12(17)10-20-16/h2-3,8-10,18H,4-7H2,1H3