[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C22H18N4O2/c1-16-14-21(24-15-23-16)25-18-6-10-20(11-7-18)28-22(27)17-4-8-19(9-5-17)26-12-2-3-13-26/h2-15H,1H3,(H,23,24,25)