2-[(3-bromophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C14H13BrN2OS MolecularWeight: 337.23482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C14H13BrN2OS/c15-10-4-1-3-9(7-10)8-19-14-16-12-6-2-5-11(12)13(18)17-14/h1,3-4,7H,2,5-6,8H2,(H,16,17,18)