N4-(3-bromophenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3-bromophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H12BrN5O2 MolecularWeight: 350.17068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN5O2/c1-2-6-15-12-11(19(20)21)13(17-8-16-12)18-10-5-3-4-9(14)7-10/h2-5,7-8H,1,6H2,(H2,15,16,17,18)