6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-(3-methoxyphenyl)-5-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H21N3O3S2 MolecularWeight: 439.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)C4=CC=CN4)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)C4=CC=CN4)C

InChI

InChI=1S/C22H21N3O3S2/c1-4-18-13(2)19-20(30-18)24-22(29-12-17(26)16-9-6-10-23-16)25(21(19)27)14-7-5-8-15(11-14)28-3/h5-11,23H,4,12H2,1-3H3