ethyl 4-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)NCCCC(=O)OCC)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)NCCCC(=O)OCC)SC(=C2C)C

InChI

InChI=1S/C20H29N3O4S2/c1-5-7-11-23-19(26)17-13(3)14(4)29-18(17)22-20(23)28-12-15(24)21-10-8-9-16(25)27-6-2/h5-12H2,1-4H3,(H,21,24)