N2-(3-methylbutyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-methylbutyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-isopentyl-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-methylbutyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-methylbutyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(isoamylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC(C)C

InChI

InChI=1S/C16H22N6O2/c1-10(2)7-8-18-16-20-14(17)13(22(23)24)15(21-16)19-12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3,(H4,17,18,19,20,21)