5,6-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(3-methyl-2-quinoxalinyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5,6-dimethyl-2-[(3-methylquinoxalin-2-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N=C3C)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N=C3C)CC=C)C

InChI

InChI=1S/C21H20N4OS2/c1-5-10-25-20(26)18-12(2)14(4)28-19(18)24-21(25)27-11-17-13(3)22-15-8-6-7-9-16(15)23-17/h5-9H,1,10-11H2,2-4H3