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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4S/c1-12(2)15-11-19(28)24-21(22-15)26-18(10-16(25-26)17-7-4-8-32-17)23-20(29)13-5-3-6-14(9-13)27(30)31/h3-12H,1-2H3,(H,23,29)(H,22,24,28)