N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N6O2S/c1-12-22-17-13(11-21-26(17)20(2,3)4)18(28)25(12)10-9-16(27)24-19-23-14-7-5-6-8-15(14)29-19/h5-8,11H,9-10H2,1-4H3,(H,23,24,27)