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

Systemtic Name: 2-[[5-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[5-(o-tolyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[[5-(2-methylphenyl)-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-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N(CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N(CC=C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-3-13-27(17-10-5-4-6-11-17)20(29)15-31-23-25-21-18(14-24-26-21)22(30)28(23)19-12-8-7-9-16(19)2/h3-12,14H,1,13,15H2,2H3,(H,24,26)