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

Systemtic Name: N4-cyclohexyl-N6-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[5-nitro-6-(o-anisidino)pyrimidin-4-yl]amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-25-14-10-6-5-9-13(14)21-17-15(22(23)24)16(18-11-19-17)20-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H2,18,19,20,21)