N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(2,3-dihydrobenzofuran-5-ylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-(coumaran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H28N6O3/c22-10-14-1-3-15(4-2-14)11-23-20-18(27(28)29)13-25-21(26-20)24-12-16-5-6-19-17(9-16)7-8-30-19/h5-6,9,13-15H,1-4,7-8,10-12,22H2,(H2,23,24,25,26)