N-(4-dimethylaminophenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H22N6OS/c1-27(2)18-10-8-17(9-11-18)26-20(29)14-30-22-19-12-25-28(21(19)23-15-24-22)13-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3,(H,26,29)