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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CC=C4)C)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CC=C4)C)N

InChI

InChI=1S/C22H22N6OS/c1-14-8-6-7-11-17(14)28-20(23)19-15(2)26-27-21(19)25-22(28)30-13-18(29)24-12-16-9-4-3-5-10-16/h3-11H,12-13,23H2,1-2H3,(H,24,29)