2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC(=CC=C4)OC)C)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C(=NN=C3N=C2SCC(=O)NC4=CC(=CC=C4)OC)C)N

InChI

InChI=1S/C22H22N6O2S/c1-13-6-4-8-16(10-13)28-20(23)19-14(2)26-27-21(19)25-22(28)31-12-18(29)24-15-7-5-9-17(11-15)30-3/h4-11H,12,23H2,1-3H3,(H,24,29)