2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-(m-tolyl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N5O2S/c1-14-4-3-5-15(10-14)25-19(27)12-29-21-18-11-24-26(20(18)22-13-23-21)16-6-8-17(28-2)9-7-16/h3-11,13H,12H2,1-2H3,(H,25,27)