N6-(3-methylbutyl)-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-N4-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O2/c1-10(2)6-8-17-14-12(21(22)23)15(19-9-18-14)20-13-11(3)5-4-7-16-13/h4-5,7,9-10H,6,8H2,1-3H3,(H2,16,17,18,19,20)