2-[[5-(4-chlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[5-(4-chlorophenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-acetamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O2S/c1-2-12-27(16-6-4-3-5-7-16)19(29)14-31-22-25-20-18(13-24-26-20)21(30)28(22)17-10-8-15(23)9-11-17/h2-11,13H,1,12,14H2,(H,24,26)