3-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]propanoate

Systemtic Name: 3-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]propanoate Openeye Name: 3-[[2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate CAS Name: 3-[[2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]propanoate IUPAC Name: 3-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propionate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC(=O)[O-])C

InChI

InChI=1S/C13H15N3O4S/c1-7-8(2)21-12-11(7)13(20)16(6-15-12)5-9(17)14-4-3-10(18)19/h6H,3-5H2,1-2H3,(H,14,17)(H,18,19)/p-1