2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-chloro-3-pyridyl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-chloro-3-pyridyl)methylthio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CN=C(C=C4)Cl)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CN=C(C=C4)Cl)CC=C

InChI

InChI=1S/C22H18ClN3OS2/c1-3-10-26-21(27)19-17(16-7-4-14(2)5-8-16)13-28-20(19)25-22(26)29-12-15-6-9-18(23)24-11-15/h3-9,11,13H,1,10,12H2,2H3