6-(4-methylpiperazin-1-yl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N2-prop-2-enyl-pyrimidine-2,4-diamine Openeye Name: N2-allyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N2-prop-2-enylpyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4-diamine Traditional Name: allyl-[4-amino-6-(4-methylpiperazino)-5-nitro-pyrimidin-2-yl]amine Formula: C12H19N7O2 MolecularWeight: 293.32496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC(=N2)NCC=C)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC(=N2)NCC=C)N)[N+](=O)[O-]

InChI

InChI=1S/C12H19N7O2/c1-3-4-14-12-15-10(13)9(19(20)21)11(16-12)18-7-5-17(2)6-8-18/h3H,1,4-8H2,2H3,(H3,13,14,15,16)