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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H17N3O2S2 MolecularWeight: 323.43368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2

InChI

InChI=1S/C14H17N3O2S2/c18-11(17-6-3-1-2-4-7-17)9-21-14-15-12(19)10-5-8-20-13(10)16-14/h5,8H,1-4,6-7,9H2,(H,15,16,19)