2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: 2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(6-methyl-1-phenyl-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=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NCC4=CC=CC=C4

InChI

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