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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-phenylpropanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-15-14-19(24-21(22-15)27-2)23-17-9-11-18(12-10-17)26-20(25)13-8-16-6-4-3-5-7-16/h3-7,9-12,14H,8,13H2,1-2H3,(H,22,23,24)