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

Systemtic Name: 1-(2,2-dimethylpropyl)-3-oxidanylidene-2-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-6-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-3-oxo-2-(2-thienylmethyl)pyrazolo[3,4-d]pyrimidine-6-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-3-oxo-2-(thiophen-2-ylmethyl)-6-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-3-oxo-2-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-6-carbonitrile Traditional Name: 3-keto-1-neopentyl-2-(2-thenyl)pyrazolo[3,4-d]pyrimidine-6-carbonitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC3=CC=CS3)C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC3=CC=CS3)C#N

InChI

InChI=1S/C16H17N5OS/c1-16(2,3)10-21-14-12(8-18-13(7-17)19-14)15(22)20(21)9-11-5-4-6-23-11/h4-6,8H,9-10H2,1-3H3