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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-aminophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-aminophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-aminophenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(2-aminophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (2-aminobenzyl)-[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amine Formula: C19H27N7O2 MolecularWeight: 385.46338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3N

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3N

InChI

InChI=1S/C19H27N7O2/c20-9-13-5-7-14(8-6-13)10-22-18-17(26(27)28)12-24-19(25-18)23-11-15-3-1-2-4-16(15)21/h1-4,12-14H,5-11,20-21H2,(H2,22,23,24,25)