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

Systemtic Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C21H18ClN5O3S/c1-29-17-8-5-14(9-18(17)30-2)26-19(28)11-31-21-16-10-25-27(20(16)23-12-24-21)15-6-3-13(22)4-7-15/h3-10,12H,11H2,1-2H3,(H,26,28)