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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C17H16N6O2S/c1-10-4-3-5-12-14(10)21-17(26-12)20-13(24)6-7-23-9-18-15-11(16(23)25)8-19-22(15)2/h3-5,8-9H,6-7H2,1-2H3,(H,20,21,24)