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

Systemtic Name: ethyl 4-[[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2/c1-3-32-27(31)22-14-16-23(17-15-22)29-26-24(18-20-10-6-4-7-11-20)19(2)28-25(30-26)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,28,29,30)