5-cyclopropyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-cyclopropyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-cyclopropyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3COC4=CC=CC=C4O3)SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SC[C@H]3COC4=CC=CC=C4O3)SC=C2C5CC5

InChI

InChI=1S/C21H20N2O3S2/c1-2-9-23-20(24)18-15(13-7-8-13)12-27-19(18)22-21(23)28-11-14-10-25-16-5-3-4-6-17(16)26-14/h2-6,12-14H,1,7-11H2/t14-/m1/s1