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

Systemtic Name: 4-[2-(2,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]butanoate Openeye Name: 4-[[2-(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-(2,5,6-trimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]butanoate IUPAC Name: 4-[[2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-keto-2,5,6-trimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]butyrate Formula: C15H18N3O4S- MolecularWeight: 336.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S/c1-8-9(2)23-14-13(8)15(22)18(10(3)17-14)7-11(19)16-6-4-5-12(20)21/h4-7H2,1-3H3,(H,16,19)(H,20,21)/p-1