6-(4-ethylpiperazin-1-yl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-ethylpiperazin-1-yl)-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-ethyl-1-piperazinyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-ethylpiperazino)-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C15H21N7O3 MolecularWeight: 347.37234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O3/c1-2-20-5-7-21(8-6-20)14-12(22(23)24)13(16)18-15(19-14)17-10-11-4-3-9-25-11/h3-4,9H,2,5-8,10H2,1H3,(H3,16,17,18,19)