[4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 3,4-dimethoxybenzoate

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C32H27N3O4S MolecularWeight: 549.63948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H27N3O4S/c1-37-28-18-13-24(19-29(28)38-2)31(36)39-26-16-14-25(15-17-26)33-30-20-27(23-11-7-4-8-12-23)34-32(35-30)40-21-22-9-5-3-6-10-22/h3-20H,21H2,1-2H3,(H,33,34,35)