7-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-1-(m-tolyl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-4-keto-1-(m-tolyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid Formula: C22H15N3O5S MolecularWeight: 433.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)O)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(=CC(=N3)C4=CC5=C(C=C4)OCO5)C(=O)O)C(=O)NC2=S

InChI

InChI=1S/C22H15N3O5S/c1-11-3-2-4-13(7-11)25-19-18(20(26)24-22(25)31)14(21(27)28)9-15(23-19)12-5-6-16-17(8-12)30-10-29-16/h2-9H,10H2,1H3,(H,27,28)(H,24,26,31)