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

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 3-methylbenzoate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C31H25N3O2S MolecularWeight: 503.6141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O2S/c1-22-9-8-14-25(19-22)30(35)36-27-17-15-26(16-18-27)32-29-20-28(24-12-6-3-7-13-24)33-31(34-29)37-21-23-10-4-2-5-11-23/h2-20H,21H2,1H3,(H,32,33,34)