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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-isopentyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-isoamyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-propargyl-acetamide Formula: C20H21N3O2S3 MolecularWeight: 431.59464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NCC#C)SC=C2C3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NCC#C)SC=C2C3=CC=CS3

InChI

InChI=1S/C20H21N3O2S3/c1-4-8-21-16(24)12-28-20-22-18-17(19(25)23(20)9-7-13(2)3)14(11-27-18)15-6-5-10-26-15/h1,5-6,10-11,13H,7-9,12H2,2-3H3,(H,21,24)