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

Systemtic Name: [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 3-methoxybenzoate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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