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

Systemtic Name: 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-15-7-5-6-10-18(15)26-20-17(12-25-26)21(24-14-23-20)28-13-19(27)22-11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H,22,27)