2-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C18H15BrN2O2S2 MolecularWeight: 435.3579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C18H15BrN2O2S2/c1-3-9-21-17(23)14-8-10-24-16(14)20-18(21)25-11(2)15(22)12-4-6-13(19)7-5-12/h3-8,10-11H,1,9H2,2H3