[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-chloranylbenzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-chloranylbenzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H16ClN3O2 MolecularWeight: 401.84504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H16ClN3O2/c24-18-8-4-7-17(13-18)23(28)29-20-11-9-19(10-12-20)27-22-14-21(25-15-26-22)16-5-2-1-3-6-16/h1-15H,(H,25,26,27)