2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-3-ethyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N3O2S2 MolecularWeight: 415.5721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=C3)C)CC=C)C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=C3)C)CC=C)C)SC(=C2C)C

InChI

InChI=1S/C21H25N3O2S2/c1-7-9-24-12(3)10-16(14(24)5)17(25)11-27-21-22-19-18(13(4)15(6)28-19)20(26)23(21)8-2/h7,10H,1,8-9,11H2,2-6H3