N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-cyano-benzamide

Systemtic Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-cyano-benzamide Openeye Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-cyano-benzamide CAS Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-3-cyanobenzamide IUPAC Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-cyanobenzamide Traditional Name: N-[5-tert-butyl-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-cyano-benzamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H22N6O2/c1-12-13(2)23-20(25-18(12)28)27-17(10-16(26-27)21(3,4)5)24-19(29)15-8-6-7-14(9-15)11-22/h6-10H,1-5H3,(H,24,29)(H,23,25,28)