5,6-dimethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(5-phenyl-3-isoxazolyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5,6-dimethyl-2-[(5-phenylisoxazol-3-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NOC(=C3)C4=CC=CC=C4)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NOC(=C3)C4=CC=CC=C4)CC=C)C

InChI

InChI=1S/C21H19N3O2S2/c1-4-10-24-20(25)18-13(2)14(3)28-19(18)22-21(24)27-12-16-11-17(26-23-16)15-8-6-5-7-9-15/h4-9,11H,1,10,12H2,2-3H3