butyl 4-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoic acid butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C22H25N3O4S/c1-4-5-12-29-22(28)16-6-8-17(9-7-16)24-18(26)10-11-25-13-23-20-19(21(25)27)14(2)15(3)30-20/h6-9,13H,4-5,10-12H2,1-3H3,(H,24,26)