3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-2-28-17-9-5-14(6-10-17)18-12-29-21-20(18)22(27)25(13-24-21)11-19(26)15-3-7-16(23)8-4-15/h3-10,12-13H,2,11H2,1H3