N-[2-(4-tert-butylphenoxy)ethyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-21(2,3)15-5-7-16(8-6-15)29-12-10-22-18(27)9-11-26-14-23-19-17(20(26)28)13-24-25(19)4/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)