[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] butanoate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] butanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] butanoate CAS Name: butanoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] butanoate Traditional Name: butyric acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)SC

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)SC

InChI

InChI=1S/C16H19N3O2S/c1-4-5-15(20)21-13-8-6-12(7-9-13)18-14-10-11(2)17-16(19-14)22-3/h6-10H,4-5H2,1-3H3,(H,17,18,19)