N4-cyclohexyl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCC3

InChI

InChI=1S/C18H23N5O2/c1-13-7-9-14(10-8-13)11-19-17-16(23(24)25)18(21-12-20-17)22-15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,19,20,21,22)