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

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C(C)(C)C

InChI

InChI=1S/C21H24N6O3S/c1-5-30-13-6-7-15-16(10-13)31-20(24-15)25-17(28)8-9-26-12-22-18-14(19(26)29)11-23-27(18)21(2,3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H,24,25,28)