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

Systemtic Name: [4-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] propanoate Openeye Name: [4-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] propanoate CAS Name: propanoic acid [4-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] propanoate Traditional Name: propionic acid [4-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-3-20(25)26-18-11-9-17(10-12-18)23-19-13-15(2)22-21(24-19)27-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,22,23,24)