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

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N3O2S3 MolecularWeight: 419.58394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C19H21N3O2S3/c1-12(18(24)22-8-4-2-3-5-9-22)27-19-20-16(23)15-13(11-26-17(15)21-19)14-7-6-10-25-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,21,23)/t12-/m1/s1