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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C17H16N6O4S2/c1-22-15-11(8-19-22)16(25)23(9-18-15)6-5-14(24)21-17-20-12-4-3-10(29(2,26)27)7-13(12)28-17/h3-4,7-9H,5-6H2,1-2H3,(H,20,21,24)