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

Systemtic Name: 3-[(3-bromophenyl)methyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-bromophenyl)methyl]-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-bromobenzyl)-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Br)C

InChI

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