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

Systemtic Name: 1-tert-butyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[2-keto-2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-18(2,3)22-16-14(9-20-22)17(24)21(11-19-16)10-15(23)12-5-7-13(25-4)8-6-12/h5-9,11H,10H2,1-4H3