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

Systemtic Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[5-tert-butyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-1,3-benzothiazole-2-carboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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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=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H22N6O2S/c1-11-12(2)22-20(25-17(11)28)27-16(10-15(26-27)21(3,4)5)24-18(29)19-23-13-8-6-7-9-14(13)30-19/h6-10H,1-5H3,(H,24,29)(H,22,25,28)