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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H13N5O3S/c1-20-15-10(6-18-20)16(23)21(9-17-15)7-14(22)24-8-13-19-11-4-2-3-5-12(11)25-13/h2-6,9H,7-8H2,1H3