2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C17H19N5O4S/c1-22-16-11(7-20-22)17(19-9-18-16)27-8-14(23)21-10-5-12(24-2)15(26-4)13(6-10)25-3/h5-7,9H,8H2,1-4H3,(H,21,23)