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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2S/c1-22-16-11(8-20-22)17(25)23(10-19-16)7-6-14(24)18-9-15-21-12-4-2-3-5-13(12)26-15/h2-5,8,10H,6-7,9H2,1H3,(H,18,24)