N-(pyridin-3-ylmethyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-pyridylmethyl)-2-(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-pyridinylmethyl)-2-[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-pyridylmethyl)acetamide Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CN=CC=C3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CN=CC=C3)C)C

InChI

InChI=1S/C17H18N4O2S2/c1-10-11(2)25-15-14(10)16(23)21(3)17(20-15)24-9-13(22)19-8-12-5-4-6-18-7-12/h4-7H,8-9H2,1-3H3,(H,19,22)