(3-fluorophenyl)methyl 4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: (3-fluorophenyl)methyl 4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]pyrimidine-5-carboxylate Openeye Name: (3-fluorophenyl)methyl 4-amino-6-(4-benzyloxy-3-chloro-anilino)pyrimidine-5-carboxylate CAS Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-5-pyrimidinecarboxylic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate Traditional Name: 4-amino-6-(4-benzoxy-3-chloro-anilino)pyrimidine-5-carboxylic acid (3-fluorobenzyl) ester Formula: C25H20ClFN4O3 MolecularWeight: 478.902703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC(=C3C(=O)OCC4=CC(=CC=C4)F)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC(=C3C(=O)OCC4=CC(=CC=C4)F)N)Cl

InChI

InChI=1S/C25H20ClFN4O3/c26-20-12-19(9-10-21(20)33-13-16-5-2-1-3-6-16)31-24-22(23(28)29-15-30-24)25(32)34-14-17-7-4-8-18(27)11-17/h1-12,15H,13-14H2,(H3,28,29,30,31)