N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(3-bromophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(3-bromophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(3-bromophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(3-bromophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-(3-bromophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23BrN6O2 MolecularWeight: 435.31822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H23BrN6O2/c19-14-2-1-3-15(8-14)23-18-22-11-16(25(26)27)17(24-18)21-10-13-6-4-12(9-20)5-7-13/h1-3,8,11-13H,4-7,9-10,20H2,(H2,21,22,23,24)