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

Systemtic Name: N2-(4-chlorophenyl)-N4-[[4-(dimethylaminomethyl)cyclohexyl]methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[[4-(dimethylaminomethyl)cyclohexyl]methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[[4-(dimethylaminomethyl)cyclohexyl]methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[[4-(dimethylaminomethyl)cyclohexyl]methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-[[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]methyl]cyclohexyl]methyl-dimethyl-amine Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN6O2/c1-26(2)13-15-5-3-14(4-6-15)11-22-19-18(27(28)29)12-23-20(25-19)24-17-9-7-16(21)8-10-17/h7-10,12,14-15H,3-6,11,13H2,1-2H3,(H2,22,23,24,25)