N4-cyclohexyl-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-2-13-8-6-7-11-15(13)22-18-16(23(24)25)17(19-12-20-18)21-14-9-4-3-5-10-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H2,19,20,21,22)