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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H21N7O2/c1-3-4-13-11-10(19(20)21)12(15-9-14-11)16-18-7-5-17(2)6-8-18/h9H,3-8H2,1-2H3,(H2,13,14,15,16)