N4-(3-bromophenyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-ethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amine Formula: C12H12BrN5O2 MolecularWeight: 338.15998

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrN5O2/c1-2-14-11-10(18(19)20)12(16-7-15-11)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H2,14,15,16,17)