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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-methylbenzoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21N3O2/c1-17-11-13-20(14-12-17)25(29)30-22-10-6-9-21(15-22)28-24-16-23(26-18(2)27-24)19-7-4-3-5-8-19/h3-16H,1-2H3,(H,26,27,28)