N-(3-acetamidophenyl)-2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(3-acetamidophenyl)-2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(3-acetamidophenyl)-2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C19H22N6O3/c1-12(26)22-13-6-5-7-14(8-13)23-16(27)10-24-11-20-17-15(18(24)28)9-21-25(17)19(2,3)4/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27)