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

Systemtic Name: 4-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]butanoate Openeye Name: 4-[[2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butyrate Formula: C14H16N3O4S- MolecularWeight: 322.35954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-8-9(2)22-13-12(8)14(21)17(7-16-13)6-10(18)15-5-3-4-11(19)20/h7H,3-6H2,1-2H3,(H,15,18)(H,19,20)/p-1