2-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]acetic acid IUPAC Name: 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)CSCC(=O)O

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)CSCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-8-3-2-4-14-10(15)5-9(13-12(8)14)6-18-7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)