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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC(=CC=C3)OC

InChI

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