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

Systemtic Name: 5-nitro-N4-(3-nitrophenyl)-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-nitrophenyl)-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(3-nitrophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C13H12N6O4 MolecularWeight: 316.27218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O4/c1-2-6-14-12-11(19(22)23)13(16-8-15-12)17-9-4-3-5-10(7-9)18(20)21/h2-5,7-8H,1,6H2,(H2,14,15,16,17)