N-cyclohexyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclohexyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclohexyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-cyclohexyl-6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclohexyl-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: cyclohexyl-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCC3)C

InChI

InChI=1S/C18H22N4O3/c1-12-8-9-15(10-13(12)2)25-18-16(22(23)24)17(19-11-20-18)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,20,21)