3-[(2-nitrophenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-nitrophenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(2-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(2-nitroanilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(2-nitroanilino)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3/c24-16(6-9-18-14-4-1-2-5-15(14)23(25)26)21-10-12-22(13-11-21)17-19-7-3-8-20-17/h1-5,7-8,18H,6,9-13H2