1-tert-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N5O2/c1-21(2,3)26-19-17(12-23-26)20(28)25(14-22-19)11-9-18(27)24-10-8-15-6-4-5-7-16(15)13-24/h4-7,12,14H,8-11,13H2,1-3H3