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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-fluorophenyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-(4-fluorophenyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-(4-fluorophenyl)-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-(4-fluorophenyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H24FN3O2S2 MolecularWeight: 493.616063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C26H24FN3O2S2/c27-19-12-10-18(11-13-19)21-16-33-24-23(21)25(32)30(20-8-4-3-5-9-20)26(28-24)34-17-22(31)29-14-6-1-2-7-15-29/h3-5,8-13,16H,1-2,6-7,14-15,17H2