[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC)OCC

InChI

InChI=1S/C25H29N3O4S/c1-5-7-14-31-21-13-8-18(16-22(21)30-6-2)24(29)32-20-11-9-19(10-12-20)27-23-15-17(3)26-25(28-23)33-4/h8-13,15-16H,5-7,14H2,1-4H3,(H,26,27,28)