[2-(dimethylamino)-5-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O3/c1-20(2)15-5-4-13(23(25)26)12-14(15)16(24)21-8-10-22(11-9-21)17-18-6-3-7-19-17/h3-7,12H,8-11H2,1-2H3