[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethyl-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OCC(=O)NCC#C)C

InChI

InChI=1S/C21H19N3O4S/c1-4-10-22-16(25)11-28-21(27)14-8-6-13(7-9-14)18-23-19(26)17-15(5-2)12(3)29-20(17)24-18/h1,6-9H,5,10-11H2,2-3H3,(H,22,25)(H,23,24,26)