N4-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(4-ethylphenyl)amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C12H13N5O2/c1-2-8-3-5-9(6-4-8)16-12-10(17(18)19)11(13)14-7-15-12/h3-7H,2H2,1H3,(H3,13,14,15,16)