2-[[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-indolin-1-yl-2-oxo-ethyl)sulfanylmethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylmethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2-indolin-1-yl-2-keto-ethyl)thio]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O2S3 MolecularWeight: 439.57358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSCC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSCC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C21H17N3O2S3/c25-18(24-8-7-13-4-1-2-5-15(13)24)12-27-11-17-22-20(26)19-14(10-29-21(19)23-17)16-6-3-9-28-16/h1-6,9-10H,7-8,11-12H2,(H,22,23,26)