N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-5-nitro-2-furamide Formula: C17H12N6O5S MolecularWeight: 412.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O5S/c1-9-7-14(24)20-17(18-9)22-13(8-10(21-22)12-3-2-6-29-12)19-16(25)11-4-5-15(28-11)23(26)27/h2-8H,1H3,(H,19,25)(H,18,20,24)