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

Systemtic Name: N4-(2-ethylphenyl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethylphenyl)-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethylphenyl)-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-2-12-6-3-4-8-14(12)21-17-15(22(23)24)16(19-11-20-17)18-10-13-7-5-9-25-13/h3-9,11H,2,10H2,1H3,(H2,18,19,20,21)