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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-13-10-19(22-12-21-13)24-16-6-8-18(9-7-16)27-20(26)15-4-3-5-17(11-15)23-14(2)25/h3-12H,1-2H3,(H,23,25)(H,21,22,24)