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

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-methyl-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]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-methyl-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-methyl-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3CCOCO3)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC[C@H]3CCOCO3)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-3-10-23-20(24)17-14(2)18(15-7-5-4-6-8-15)28-19(17)22-21(23)27-12-16-9-11-25-13-26-16/h3-8,16H,1,9-13H2,2H3/t16-/m1/s1