2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C21H21N3O2S2/c1-4-13-6-5-7-14-15(8-22-19(13)14)16(25)9-27-10-17-23-20(26)18-11(2)12(3)28-21(18)24-17/h5-8,22H,4,9-10H2,1-3H3,(H,23,24,26)