1-(2,2-dimethylpropyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-pyrazolo[3,4-d]pyrimidine-6-carbonitrile

Systemtic Name: 1-(2,2-dimethylpropyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-pyrazolo[3,4-d]pyrimidine-6-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-pyrazolo[3,4-d]pyrimidine-6-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-6-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-2-[(4-methoxyphenyl)methyl]-3-oxopyrazolo[3,4-d]pyrimidine-6-carbonitrile Traditional Name: 3-keto-1-neopentyl-2-p-anisyl-pyrazolo[3,4-d]pyrimidine-6-carbonitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C19H21N5O2/c1-19(2,3)12-24-17-15(10-21-16(9-20)22-17)18(25)23(24)11-13-5-7-14(26-4)8-6-13/h5-8,10H,11-12H2,1-4H3