5-(4-bromophenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-6-ethyl-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-2-p-anisyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN2O2S/c1-3-17-19(14-6-8-15(23)9-7-14)20-21(26)24-18(25-22(20)28-17)12-13-4-10-16(27-2)11-5-13/h4-11H,3,12H2,1-2H3,(H,24,25,26)