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

Systemtic Name: [4-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 2-methylpropanoate Openeye Name: [4-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=C(C=C3)OC(=O)C(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC=C(C=C3)OC(=O)C(C)C

InChI

InChI=1S/C22H23N3O2S/c1-15(2)21(26)27-19-11-9-18(10-12-19)24-20-13-16(3)23-22(25-20)28-14-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,23,24,25)