[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=C1C(=O)N(C=N2)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CSC2=C1C(=O)N(C=N2)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H14N4O4S/c15-4-1-5-16-11(19)8-22-12(20)2-6-18-9-17-13-10(14(18)21)3-7-23-13/h3,7,9H,1-2,5-6,8H2,(H,16,19)