5-(4-fluorophenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-(2-oxoazepan-3-yl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[(2-oxo-3-azepanyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-(2-oxoazepan-3-yl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(2-ketoazepan-3-yl)thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H16FN3O2S2 MolecularWeight: 389.466943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

InChI

InChI=1S/C18H16FN3O2S2/c19-11-6-4-10(5-7-11)12-9-25-17-14(12)16(24)21-18(22-17)26-13-3-1-2-8-20-15(13)23/h4-7,9,13H,1-3,8H2,(H,20,23)(H,21,22,24)