N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N6O2S/c1-19(2,3)25-16-12(10-21-25)17(27)24(11-20-16)9-8-15(26)23-18-22-13-6-4-5-7-14(13)28-18/h4-7,10-11H,8-9H2,1-3H3,(H,22,23,26)