N4-(4-methylpiperazin-1-yl)-5-nitro-N6-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-isopropyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: isopropyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N7O2 MolecularWeight: 295.34084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H21N7O2/c1-9(2)15-11-10(19(20)21)12(14-8-13-11)16-18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16)