N4-[(E)-1-(4-chlorophenyl)ethylideneamino]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(E)-1-(4-chlorophenyl)ethylideneamino]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(E)-1-(4-chlorophenyl)ethylideneamino]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(E)-1-(4-chlorophenyl)ethylideneamino]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(E)-1-(4-chlorophenyl)ethylideneamino]amine Formula: C12H11ClN6O2 MolecularWeight: 306.70774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC=NC(=C1[N+](=O)[O-])N)C2=CC=C(C=C2)Cl

Isomeric SMILES

C/C(=N\NC1=NC=NC(=C1[N+](=O)[O-])N)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN6O2/c1-7(8-2-4-9(13)5-3-8)17-18-12-10(19(20)21)11(14)15-6-16-12/h2-6H,1H3,(H3,14,15,16,18)/b17-7+