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

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H18N6O4S/c1-11-13(3)22-21(24-19(11)28)26-18(10-15(25-26)17-8-5-9-32-17)23-20(29)14-6-4-7-16(12(14)2)27(30)31/h4-10H,1-3H3,(H,23,29)(H,22,24,28)