4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(3-methyl-5-oxo-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(3-methyl-5-oxo-1-phenyl-4-pyrazolo[3,4-b][1,4]thiazinyl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(3-methyl-5-oxo-1-phenylpyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(5-keto-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(3-pyridylmethyl)butyramide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-16-21-22(27(25-16)18-8-3-2-4-9-18)30-15-20(29)26(21)12-6-10-19(28)24-14-17-7-5-11-23-13-17/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3,(H,24,28)