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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-13-11-19(24-21(22-13)29-4)23-15-6-8-16(9-7-15)28-20(25)14-5-10-17(26-2)18(12-14)27-3/h5-12H,1-4H3,(H,22,23,24)