2-[2-(4-chloranylpyrazolo[3,4-d]pyrimidin-1-yl)-5-methylsulfonyl-phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[2-(4-chloranylpyrazolo[3,4-d]pyrimidin-1-yl)-5-methylsulfonyl-phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[2-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)-5-methylsulfonyl-phenoxy]-N,N-dimethyl-ethanamine CAS Name: 2-[2-(4-chloro-1-pyrazolo[3,4-d]pyrimidinyl)-5-methylsulfonylphenoxy]-N,N-dimethylethanamine IUPAC Name: 2-[2-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)-5-methylsulfonylphenoxy]-N,N-dimethylethanamine Traditional Name: 2-[2-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)-5-mesyl-phenoxy]ethyl-dimethyl-amine Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC(=C1)S(=O)(=O)C)N2C3=C(C=N2)C(=NC=N3)Cl

Isomeric SMILES

CN(C)CCOC1=C(C=CC(=C1)S(=O)(=O)C)N2C3=C(C=N2)C(=NC=N3)Cl

InChI

InChI=1S/C16H18ClN5O3S/c1-21(2)6-7-25-14-8-11(26(3,23)24)4-5-13(14)22-16-12(9-20-22)15(17)18-10-19-16/h4-5,8-10H,6-7H2,1-3H3