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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

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