ethyl 4-butyl-2-[[4-(2-iodanylphenyl)phenyl]methylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-butyl-2-[[4-(2-iodanylphenyl)phenyl]methylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-butyl-2-[[4-(2-iodophenyl)phenyl]methylamino]pyrimidine-5-carboxylate CAS Name: 4-butyl-2-[[4-(2-iodophenyl)phenyl]methylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butyl-2-[[4-(2-iodophenyl)phenyl]methylamino]pyrimidine-5-carboxylate Traditional Name: 4-butyl-2-[[4-(2-iodophenyl)benzyl]amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H26IN3O2 MolecularWeight: 515.38661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1C(=O)OCC)NCC2=CC=C(C=C2)C3=CC=CC=C3I

Isomeric SMILES

CCCCC1=NC(=NC=C1C(=O)OCC)NCC2=CC=C(C=C2)C3=CC=CC=C3I

InChI

InChI=1S/C24H26IN3O2/c1-3-5-10-22-20(23(29)30-4-2)16-27-24(28-22)26-15-17-11-13-18(14-12-17)19-8-6-7-9-21(19)25/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,26,27,28)