[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate CAS Name: 3-ethoxybenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Traditional Name: 3-ethoxybenzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-3-25-18-6-4-5-15(12-18)20(24)26-17-9-7-16(8-10-17)23-19-11-14(2)21-13-22-19/h4-13H,3H2,1-2H3,(H,21,22,23)