2-[5,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[5,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-(2-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetic acid CAS Name: 2-[5,6-dimethyl-4-oxo-2-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid Traditional Name: 2-(2-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CC(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3)CC(=O)O)C

InChI

InChI=1S/C17H16N2O3S/c1-10-11(2)23-16-15(10)17(22)19(9-14(20)21)13(18-16)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,20,21)