5-nitro-N6-prop-2-enyl-N4-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-prop-2-enyl-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-prop-2-enyl-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-prop-2-enyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: allyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C12H12N6O2 MolecularWeight: 272.26268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2/c1-2-5-14-11-10(18(19)20)12(16-8-15-11)17-9-3-6-13-7-4-9/h2-4,6-8H,1,5H2,(H2,13,14,15,16,17)