3-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]butanoic acid Openeye Name: 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid CAS Name: 3-[[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid Traditional Name: 3-[(4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butyric acid Formula: C12H13N3O4S MolecularWeight: 295.31432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)NC(C)CC(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-5(3-7(16)17)15-11(19)9-6(2)8-10(18)13-4-14-12(8)20-9/h4-5H,3H2,1-2H3,(H,15,19)(H,16,17)(H,13,14,18)