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

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C13H14BrN5O2 MolecularWeight: 352.18656

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrN5O2/c1-2-6-15-12-11(19(20)21)13(17-8-16-12)18-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H2,15,16,17,18)