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

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(NC4=CC=CC=C43)C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(NC4=CC=CC=C43)C)SC(=C2C)C

InChI

InChI=1S/C21H21N3O2S2/c1-5-24-20(26)17-11(2)13(4)28-19(17)23-21(24)27-10-16(25)18-12(3)22-15-9-7-6-8-14(15)18/h6-9,22H,5,10H2,1-4H3