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

Systemtic Name: N4-methyl-N6-(3-methylbutyl)-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(3-methylbutyl)-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-(3-methylbutyl)-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C16H28N6O2 MolecularWeight: 336.43252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)N(C)C2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)N(C)C2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H28N6O2/c1-12(2)5-8-17-15-14(22(23)24)16(19-11-18-15)21(4)13-6-9-20(3)10-7-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)