N-(3,3-dimethyl-1-phenyl-butyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-21(2,3)12-17(15-8-6-5-7-9-15)24-18(27)10-11-26-14-22-19-16(20(26)28)13-23-25(19)4/h5-9,13-14,17H,10-12H2,1-4H3,(H,24,27)