[3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 4-methoxybenzoate

Systemtic Name: [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 4-methoxybenzoate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[[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(=CC=C3)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c1-18-15-24(29-26(27-18)33-17-19-7-4-3-5-8-19)28-21-9-6-10-23(16-21)32-25(30)20-11-13-22(31-2)14-12-20/h3-16H,17H2,1-2H3,(H,27,28,29)