2-(2-methyl-4-oxidanylidene-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-4-oxidanylidene-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)ethanoic acid Openeye Name: 2-(2-methyl-4-oxo-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)acetic acid CAS Name: 2-(2-methyl-4-oxo-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)acetic acid IUPAC Name: 2-(2-methyl-4-oxo-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)acetic acid Traditional Name: 2-(4-keto-2-methyl-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-3-yl)acetic acid Formula: C15H13N2O3S+ MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C(=CSC2=N1)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=[N+](C(=O)C2C(=CSC2=N1)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C15H12N2O3S/c1-9-16-14-13(15(20)17(9)7-12(18)19)11(8-21-14)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3/p+1