N4-cyclohexyl-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-cyclohexyl-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-cyclohexyl-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N4-cyclohexyl-N2-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3CCCCC3)[N+](=O)[O-])N

InChI

InChI=1S/C18H24N6O2/c1-12-7-9-13(10-8-12)11-20-18-22-16(19)15(24(25)26)17(23-18)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H4,19,20,21,22,23)