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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-bromophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-bromophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(2-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[(2-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=CC=C3Br

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3Br

InChI

InChI=1S/C19H25BrN6O2/c20-16-4-2-1-3-15(16)11-23-19-24-12-17(26(27)28)18(25-19)22-10-14-7-5-13(9-21)6-8-14/h1-4,12-14H,5-11,21H2,(H2,22,23,24,25)