2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-chloro-3-pyridyl)methylthio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H16ClN3OS2 MolecularWeight: 425.95424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CN=C(C=C3)Cl)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CN=C(C=C3)Cl)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3OS2/c1-2-10-25-20(26)16-11-17(15-6-4-3-5-7-15)28-19(16)24-21(25)27-13-14-8-9-18(22)23-12-14/h2-9,11-12H,1,10,13H2