3-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]pentan-2-one

Systemtic Name: 3-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]pentan-2-one Openeye Name: 3-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]pentan-2-one CAS Name: 3-[(2-chloro-5-nitro-4-pyrimidinyl)amino]-2-pentanone IUPAC Name: 3-[(2-chloro-5-nitropyrimidin-4-yl)amino]pentan-2-one Traditional Name: 3-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]pentan-2-one Formula: C9H11ClN4O3 MolecularWeight: 258.66164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)NC1=NC(=NC=C1[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C(=O)C)NC1=NC(=NC=C1[N+](=O)[O-])Cl

InChI

InChI=1S/C9H11ClN4O3/c1-3-6(5(2)15)12-8-7(14(16)17)4-11-9(10)13-8/h4,6H,3H2,1-2H3,(H,11,12,13)