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

Systemtic Name: N6-butan-2-yl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-sec-butyl-pyrimidine-4,6-diamine CAS Name: N6-butan-2-yl-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butan-2-yl-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C13H23N7O2 MolecularWeight: 309.36742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N7O2/c1-4-10(2)16-12-11(20(21)22)13(15-9-14-12)17-19-7-5-18(3)6-8-19/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)