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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

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