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

Systemtic Name: 2-[(3S)-1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3S)-1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3S)-1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3S)-1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H20FN3O3S2 MolecularWeight: 493.573003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN3O3S2/c26-17-11-9-16(10-12-17)22(30)28-14-5-4-8-20(24(28)32)34-25-27-21-19(13-15-33-21)23(31)29(25)18-6-2-1-3-7-18/h1-3,6-7,9-13,15,20H,4-5,8,14H2/t20-/m0/s1