2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-(3-pyridylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-5,6-dimethyl-3-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-5,6-dimethyl-3-(3-pyridylmethyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H18BrN3OS2 MolecularWeight: 472.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)CC4=CN=CC=C4)C

InChI

InChI=1S/C21H18BrN3OS2/c1-13-14(2)28-19-18(13)20(26)25(11-16-4-3-9-23-10-16)21(24-19)27-12-15-5-7-17(22)8-6-15/h3-10H,11-12H2,1-2H3