N6-(3-methylbutyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H25N7O2 MolecularWeight: 323.394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H25N7O2/c1-11(2)4-5-15-13-12(21(22)23)14(17-10-16-13)18-20-8-6-19(3)7-9-20/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18)