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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3,5,6-trimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H15BrN2OS2 MolecularWeight: 395.3371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2OS2/c1-9-10(2)22-14-13(9)15(20)19(3)16(18-14)21-8-11-5-4-6-12(17)7-11/h4-7H,8H2,1-3H3