N2-(4-chlorophenyl)-N4-[2-(dimethylamino)cyclohexyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[2-(dimethylamino)cyclohexyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[2-(dimethylamino)cyclohexyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[2-(dimethylamino)cyclohexyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)cyclohexyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexyl]-dimethyl-amine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCCC1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C1CCCCC1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN6O2/c1-24(2)15-6-4-3-5-14(15)22-17-16(25(26)27)11-20-18(23-17)21-13-9-7-12(19)8-10-13/h7-11,14-15H,3-6H2,1-2H3,(H2,20,21,22,23)