2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[[2-(1-azepanyl)-2-oxoethyl]thio]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]sulfanylethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-[[2-(azepan-1-yl)-2-keto-ethyl]thio]ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H23N3O2S3 MolecularWeight: 433.61052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N3O2S3/c1-13(27-12-16(24)23-8-4-2-3-5-9-23)18-21-19(25)17-14(11-28-20(17)22-18)15-7-6-10-26-15/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,21,22,25)