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

Systemtic Name: N2-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2-furylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2-furanylmethyl)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazino)-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C14H19N7O3 MolecularWeight: 333.34576

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N7O3/c1-19-4-6-20(7-5-19)13-11(21(22)23)12(15)17-14(18-13)16-9-10-3-2-8-24-10/h2-3,8H,4-7,9H2,1H3,(H3,15,16,17,18)