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

Systemtic Name: 5-(4-fluorophenyl)-3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-3-methyl-2-[(2-oxo-3-azepanyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-fluorophenyl)-3-methyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(2-ketoazepan-3-yl)thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H18FN3O2S2 MolecularWeight: 403.493523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN3O2S2/c1-23-18(25)15-13(11-5-7-12(20)8-6-11)10-26-17(15)22-19(23)27-14-4-2-3-9-21-16(14)24/h5-8,10,14H,2-4,9H2,1H3,(H,21,24)