[4-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 2-phenoxyethanoate

Systemtic Name: [4-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 2-phenoxyethanoate Openeye Name: [4-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [4-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [4-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=C(C=C3)OC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=C(C=C3)OC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-19-16-24(29-26(27-19)33-18-20-8-4-2-5-9-20)28-21-12-14-23(15-13-21)32-25(30)17-31-22-10-6-3-7-11-22/h2-16H,17-18H2,1H3,(H,27,28,29)