4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide

Systemtic Name: 4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide Openeye Name: 4-(3-methyl-5-oxo-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide CAS Name: 4-(3-methyl-5-oxo-1-phenyl-4-pyrazolo[3,4-b][1,4]thiazinyl)-N-[2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 4-(3-methyl-5-oxo-1-phenylpyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 4-(5-keto-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(2-pyrrolidinoethyl)butyramide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)NCCN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)NCCN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-17-21-22(27(24-17)18-8-3-2-4-9-18)30-16-20(29)26(21)14-7-10-19(28)23-11-15-25-12-5-6-13-25/h2-4,8-9H,5-7,10-16H2,1H3,(H,23,28)