2-(1,5,7-trimethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(1,5,7-trimethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(1,5,7-trimethyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(1,5,7-trimethyl-4-oxo-2-pyrido[2,3-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(1,5,7-trimethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-1,5,7-trimethyl-pyrido[2,3-d]pyrimidin-2-yl)thio]acetate Formula: C12H12N3O3S- MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2C)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2C)SCC(=O)[O-])C

InChI

InChI=1S/C12H13N3O3S/c1-6-4-7(2)13-10-9(6)11(18)14-12(15(10)3)19-5-8(16)17/h4H,5H2,1-3H3,(H,16,17)/p-1