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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H24N6O3 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C17H24N6O3/c18-8-12-3-5-13(6-4-12)9-19-16-15(23(24)25)11-21-17(22-16)20-10-14-2-1-7-26-14/h1-2,7,11-13H,3-6,8-10,18H2,(H2,19,20,21,22)