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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[5-(2-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-keto-5-(2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N(CC=C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N(CC=C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3S/c1-3-13-27(16-9-5-4-6-10-16)20(29)15-32-23-25-21-17(14-24-26-21)22(30)28(23)18-11-7-8-12-19(18)31-2/h3-12,14H,1,13,15H2,2H3,(H,24,26)