[6-[4-(furan-3-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [6-[4-(furan-3-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [6-[4-(furan-3-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [6-[4-[3-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-[4-(furan-3-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-[4-(3-furoyl)piperazino]-5-nitro-pyrimidin-4-yl] ester Formula: C14H12N6O4S MolecularWeight: 360.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)SC#N)[N+](=O)[O-])C(=O)C3=COC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)SC#N)[N+](=O)[O-])C(=O)C3=COC=C3

InChI

InChI=1S/C14H12N6O4S/c15-8-25-13-11(20(22)23)12(16-9-17-13)18-2-4-19(5-3-18)14(21)10-1-6-24-7-10/h1,6-7,9H,2-5H2