2-[(3-bromophenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H17BrN2OS2 MolecularWeight: 457.40648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2OS2/c22-17-8-4-7-16(13-17)14-27-21-23-18-10-12-26-19(18)20(25)24(21)11-9-15-5-2-1-3-6-15/h1-8,10,12-13H,9,11,14H2