3-azanyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H18FN3O2S2 MolecularWeight: 439.525623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCC(=O)C4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCC(=O)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C22H18FN3O2S2/c23-16-10-8-15(9-11-16)18(27)7-4-12-29-22-25-20-19(21(28)26(22)24)17(13-30-20)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12,24H2