N2-[3-(dimethylamino)propyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(dimethylamino)propyl]-N4-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C14H21N7O3 MolecularWeight: 335.36164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

InChI

InChI=1S/C14H21N7O3/c1-20(2)7-4-6-16-14-18-12(15)11(21(22)23)13(19-14)17-9-10-5-3-8-24-10/h3,5,8H,4,6-7,9H2,1-2H3,(H4,15,16,17,18,19)