3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: 3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=CC=CC=C4SC

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CCC(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C22H21N5O2S/c1-15-24-21-17(14-23-27(21)16-8-4-3-5-9-16)22(29)26(15)13-12-20(28)25-18-10-6-7-11-19(18)30-2/h3-11,14H,12-13H2,1-2H3,(H,25,28)