N2-cyclohexyl-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-cyclohexyl-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-cyclohexyl-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-cyclohexyl-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-cyclohexyl-4-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: cyclohexyl-[4-methyl-5-nitro-6-(p-anisidino)pyrimidin-2-yl]amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2CCCCC2)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2CCCCC2)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-12-16(23(24)25)17(20-14-8-10-15(26-2)11-9-14)22-18(19-12)21-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,19,20,21,22)