N4-tert-butyl-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-tert-butyl-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

InChI

InChI=1S/C13H17N5O3/c1-13(2,3)17-12-10(18(19)20)11(15-8-16-12)14-7-9-5-4-6-21-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17)