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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-13-6-8-14(9-7-13)10-23-18(28)12-30-21-25-19-15(11-24-26-19)20(29)27(21)17-5-3-2-4-16(17)22/h2-9,11H,10,12H2,1H3,(H,23,28)(H,24,26)