ethyl 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-2-26-17(25)9-6-10-21-16(24)12-28-20-18-15(14-7-4-3-5-8-14)11-27-19(18)22-13-23-20/h3-5,7-8,11,13H,2,6,9-10,12H2,1H3,(H,21,24)