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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-bromophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-bromobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C16H13BrN2OS2 MolecularWeight: 393.32122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)Br)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)Br)SC=C2

InChI

InChI=1S/C16H13BrN2OS2/c1-2-7-19-15(20)13-6-8-21-14(13)18-16(19)22-10-11-4-3-5-12(17)9-11/h2-6,8-9H,1,7,10H2