N-[1-(4-tert-butylphenyl)ethyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[1-(4-tert-butylphenyl)ethyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[1-(4-tert-butylphenyl)ethyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[1-(4-tert-butylphenyl)ethyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[1-(4-tert-butylphenyl)ethyl]-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(C1=CC=C(C=C1)C(C)(C)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-14(15-6-8-16(9-7-15)21(2,3)4)24-18(27)10-11-26-13-22-19-17(20(26)28)12-23-25(19)5/h6-9,12-14H,10-11H2,1-5H3,(H,24,27)