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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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