N4-ethyl-N6-(furan-2-ylmethyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-(furan-2-ylmethyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(2-furylmethyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(2-furanylmethyl)-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H19N5O3 MolecularWeight: 353.37516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C18H19N5O3/c1-3-22(14-7-4-6-13(2)10-14)18-16(23(24)25)17(20-12-21-18)19-11-15-8-5-9-26-15/h4-10,12H,3,11H2,1-2H3,(H,19,20,21)