3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(1-phenylethyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propionamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c1-14(15-8-6-5-7-9-15)23-17(26)10-11-24-13-21-18-16(19(24)27)12-22-25(18)20(2,3)4/h5-9,12-14H,10-11H2,1-4H3,(H,23,26)