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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(4-ethoxyphenyl)ethanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)acetic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC

InChI

InChI=1S/C22H23N3O3S/c1-4-27-18-9-5-16(6-10-18)14-21(26)28-19-11-7-17(8-12-19)24-20-13-15(2)23-22(25-20)29-3/h5-13H,4,14H2,1-3H3,(H,23,24,25)