1-[4-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperazino]ethanone Formula: C16H17ClN6O3 MolecularWeight: 376.79758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN6O3/c1-11(24)21-6-8-22(9-7-21)15-14(23(25)26)10-18-16(20-15)19-13-4-2-12(17)3-5-13/h2-5,10H,6-9H2,1H3,(H,18,19,20)