[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H17N3O4S/c1-13-11-19(25-22(23-13)30-2)24-15-7-9-16(10-8-15)28-20(26)17-12-14-5-3-4-6-18(14)29-21(17)27/h3-12H,1-2H3,(H,23,24,25)