3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15BrN2O3S MolecularWeight: 455.3244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H15BrN2O3S/c1-27-18-8-7-14(9-16(18)22)17(25)10-24-12-23-20-19(21(24)26)15(11-28-20)13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3