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

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 4-methoxybenzoate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C31H25N3O3S MolecularWeight: 519.6135

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O3S/c1-36-26-16-12-24(13-17-26)30(35)37-27-18-14-25(15-19-27)32-29-20-28(23-10-6-3-7-11-23)33-31(34-29)38-21-22-8-4-2-5-9-22/h2-20H,21H2,1H3,(H,32,33,34)