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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-bromophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-bromophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(4-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(4-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[(4-bromobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H25BrN6O2 MolecularWeight: 449.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H25BrN6O2/c20-16-7-5-15(6-8-16)11-23-19-24-12-17(26(27)28)18(25-19)22-10-14-3-1-13(9-21)2-4-14/h5-8,12-14H,1-4,9-11,21H2,(H2,22,23,24,25)