methyl 4-[[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C26H23N3O2 MolecularWeight: 409.47972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2/c1-18-23(17-19-9-5-3-6-10-19)25(29-24(27-18)20-11-7-4-8-12-20)28-22-15-13-21(14-16-22)26(30)31-2/h3-16H,17H2,1-2H3,(H,27,28,29)