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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C16H14N6O2S MolecularWeight: 354.38636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H14N6O2S/c1-21-15-10(6-19-21)16(24)22(9-18-15)8-13(23)17-7-14-20-11-4-2-3-5-12(11)25-14/h2-6,9H,7-8H2,1H3,(H,17,23)