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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[[5-(2-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[5-(o-tolyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[4-keto-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C21H18ClN5O2S/c1-12-6-3-4-9-17(12)27-20(29)14-10-23-26-19(14)25-21(27)30-11-18(28)24-16-8-5-7-15(22)13(16)2/h3-10H,11H2,1-2H3,(H,23,26)(H,24,28)