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

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3CCOCO3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SC[C@H]3CCOCO3)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3S2/c1-2-9-22-19(23)16-11-17(14-6-4-3-5-7-14)27-18(16)21-20(22)26-12-15-8-10-24-13-25-15/h2-7,11,15H,1,8-10,12-13H2/t15-/m1/s1