2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21FN2O2S2 MolecularWeight: 416.532043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)C3=CC=C(C=C3)F)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC(=O)C3=CC=C(C=C3)F)CC=C)C

InChI

InChI=1S/C21H21FN2O2S2/c1-4-11-24-20(26)18-13(2)14(3)28-19(18)23-21(24)27-12-5-6-17(25)15-7-9-16(22)10-8-15/h4,7-10H,1,5-6,11-12H2,2-3H3