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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] cyclohexanecarboxylate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3CCCCC3

InChI

InChI=1S/C19H23N3O2S/c1-13-12-17(22-19(20-13)25-2)21-15-8-10-16(11-9-15)24-18(23)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,21,22)