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

Systemtic Name: 2-[4-azanyl-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[4-amino-3-methyl-5-(3-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-amino-3-methyl-5-(m-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(p-tolyl)acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=CC(=C4)C)N)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=CC(=C4)C)N)C

InChI

InChI=1S/C22H22N6OS/c1-13-7-9-16(10-8-13)24-18(29)12-30-22-25-21-19(15(3)26-27-21)20(23)28(22)17-6-4-5-14(2)11-17/h4-11H,12,23H2,1-3H3,(H,24,29)