[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H14BrN3O2 MolecularWeight: 384.22666

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O2/c1-12-10-17(21-11-20-12)22-15-6-8-16(9-7-15)24-18(23)13-2-4-14(19)5-3-13/h2-11H,1H3,(H,20,21,22)