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

Systemtic Name: 2-methylpropyl [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] carbonate Openeye Name: isobutyl [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] carbonate CAS Name: carbonic acid 2-methylpropyl [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: 2-methylpropyl [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] carbonate Traditional Name: carbonic acid isobutyl [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)COC(=O)OC1=CC=CC(=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C22H23N3O3S/c1-15(2)14-27-22(26)28-18-11-7-10-17(12-18)23-20-13-19(24-21(25-20)29-3)16-8-5-4-6-9-16/h4-13,15H,14H2,1-3H3,(H,23,24,25)