N6-cyclohexyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-22(12-14-8-4-2-5-9-14)18-16(23(24)25)17(19-13-20-18)21-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,19,20,21)