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

Systemtic Name: 5,6-dimethyl-2-[[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C3=C(NC4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C3=C(NC4=CC=CC=C43)C)C

InChI

InChI=1S/C20H19N3O2S2/c1-10-12(3)27-20-17(10)19(25)22-16(23-20)9-26-8-15(24)18-11(2)21-14-7-5-4-6-13(14)18/h4-7,21H,8-9H2,1-3H3,(H,22,23,25)