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

Systemtic Name: N6-butyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H23N7O2 MolecularWeight: 309.36742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H23N7O2/c1-3-4-5-14-12-11(20(21)22)13(16-10-15-12)17-19-8-6-18(2)7-9-19/h10H,3-9H2,1-2H3,(H2,14,15,16,17)