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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate CAS Name: 3-ethoxybenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Traditional Name: 3-ethoxybenzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-4-26-18-7-5-6-15(13-18)20(25)27-17-10-8-16(9-11-17)23-19-12-14(2)22-21(24-19)28-3/h5-13H,4H2,1-3H3,(H,22,23,24)