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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-13-12-18(23-20(21-13)27-3)22-15-6-10-17(11-7-15)26-19(24)14-4-8-16(25-2)9-5-14/h4-12H,1-3H3,(H,21,22,23)