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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(5-azanyl-2-chloranyl-phenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[(5-amino-2-chloro-phenyl)methyl]-N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(5-amino-2-chlorophenyl)methyl]-N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(5-amino-2-chlorophenyl)methyl]-4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (5-amino-2-chloro-benzyl)-[4-[[4-(aminomethyl)cyclohexyl]methylamino]-5-nitro-pyrimidin-2-yl]amine Formula: C19H26ClN7O2 MolecularWeight: 419.90844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN7O2/c20-16-6-5-15(22)7-14(16)10-24-19-25-11-17(27(28)29)18(26-19)23-9-13-3-1-12(8-21)2-4-13/h5-7,11-13H,1-4,8-10,21-22H2,(H2,23,24,25,26)