2-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C22H20FN3O3S2 MolecularWeight: 457.540903

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)SC=C2

InChI

InChI=1S/C22H20FN3O3S2/c1-2-11-26-20(28)16-10-13-30-18(16)24-22(26)31-17-5-3-4-12-25(21(17)29)19(27)14-6-8-15(23)9-7-14/h2,6-10,13,17H,1,3-5,11-12H2