N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C21H26N6O4/c1-13(28)24-14-6-7-17(31-5)16(10-14)25-18(29)8-9-26-12-22-19-15(20(26)30)11-23-27(19)21(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H,24,28)(H,25,29)