ethyl 2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]amino]-4-(phenylmethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]amino]-4-(phenylmethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-benzyl-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyrimidine-5-carboxylate CAS Name: 2-[3-methoxy-4-(4-methyl-1-imidazolyl)anilino]-4-(phenylmethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyrimidine-5-carboxylate Traditional Name: 4-benzyl-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CC2=CC=CC=C2)NC3=CC(=C(C=C3)N4C=C(N=C4)C)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CC2=CC=CC=C2)NC3=CC(=C(C=C3)N4C=C(N=C4)C)OC

InChI

InChI=1S/C25H25N5O3/c1-4-33-24(31)20-14-26-25(29-21(20)12-18-8-6-5-7-9-18)28-19-10-11-22(23(13-19)32-3)30-15-17(2)27-16-30/h5-11,13-16H,4,12H2,1-3H3,(H,26,28,29)