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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2S/c1-10-6-11(2)15-13(7-10)27-18(22-15)21-14(25)4-5-24-9-19-16-12(17(24)26)8-20-23(16)3/h6-9H,4-5H2,1-3H3,(H,21,22,25)