N4-(furan-2-ylmethyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(furan-2-ylmethyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-furylmethyl)-N2-isopentyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-furanylmethyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C14H20N6O3 MolecularWeight: 320.347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

InChI

InChI=1S/C14H20N6O3/c1-9(2)5-6-16-14-18-12(15)11(20(21)22)13(19-14)17-8-10-4-3-7-23-10/h3-4,7,9H,5-6,8H2,1-2H3,(H4,15,16,17,18,19)