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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c24-16(23-10-6-1-2-7-11-23)13-27-20-21-18(25)17-15(12-26-19(17)22-20)14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,21,22,25)