2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(3-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[5,6-dimethyl-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(3-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-propargyl-acetamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC#C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC#C)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O2S2/c1-4-10-21-16(24)12-26-20-22-18-17(13(2)14(3)27-18)19(25)23(20)11-15-8-6-5-7-9-15/h1,5-9H,10-12H2,2-3H3,(H,21,24)