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

Systemtic Name: 6-ethyl-2-[(3S)-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-6-ethyl-2-[(3S)-1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[[(3S)-1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(3S)-1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-6-ethyl-2-[[(3S)-1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C24H24FN3O3S2 MolecularWeight: 485.594063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)S[C@H]3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O3S2/c1-3-12-28-22(30)18-14-17(4-2)32-20(18)26-24(28)33-19-7-5-6-13-27(23(19)31)21(29)15-8-10-16(25)11-9-15/h3,8-11,14,19H,1,4-7,12-13H2,2H3/t19-/m0/s1