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

Systemtic Name: 2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(3-methyl-5-oxo-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(3-methyl-5-oxo-1-phenyl-4-pyrazolo[3,4-b][1,4]thiazinyl)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(3-methyl-5-oxo-1-phenylpyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(5-keto-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)-N-(3-pyrrolidinopropyl)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)CS2)CC(=O)NCCCN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)CS2)CC(=O)NCCCN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c1-16-20-21(26(23-16)17-8-3-2-4-9-17)29-15-19(28)25(20)14-18(27)22-10-7-13-24-11-5-6-12-24/h2-4,8-9H,5-7,10-15H2,1H3,(H,22,27)