ethyl 4-[(4-hexylphenyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-hexylphenyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-hexylanilino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-hexylanilino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hexylanilino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-hexylanilino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2/c1-3-5-6-8-11-19-14-16-21(17-15-19)27-24-22(25(29)30-4-2)18-26-23(28-24)20-12-9-7-10-13-20/h7,9-10,12-18H,3-6,8,11H2,1-2H3,(H,26,27,28)