[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-acetyloxybenzoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-acetyloxybenzoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-acetoxybenzoate CAS Name: 4-acetyloxybenzoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-acetyloxybenzoate Traditional Name: 4-acetoxybenzoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C26H21N3O4S/c1-17(30)32-21-13-11-19(12-14-21)25(31)33-22-10-6-9-20(15-22)27-24-16-23(28-26(29-24)34-2)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,27,28,29)