2-(oxan-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(oxan-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-phenyl-2-(tetrahydropyran-2-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(2-oxanylmethylthio)-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(oxan-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-phenyl-2-(tetrahydropyran-2-ylmethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3CCCCO3)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3CCCCO3)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c1-2-11-23-20(24)18-17(15-8-4-3-5-9-15)14-26-19(18)22-21(23)27-13-16-10-6-7-12-25-16/h2-5,8-9,14,16H,1,6-7,10-13H2