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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O2S3 MolecularWeight: 405.55736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C18H19N3O2S3/c22-14(21-7-3-1-2-4-8-21)11-26-18-19-16(23)15-12(10-25-17(15)20-18)13-6-5-9-24-13/h5-6,9-10H,1-4,7-8,11H2,(H,19,20,23)