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

Systemtic Name: ethyl 4-[butyl-[[4-(2-iodanylphenyl)phenyl]methyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[butyl-[[4-(2-iodophenyl)phenyl]methyl]amino]pyrimidine-5-carboxylate CAS Name: 4-[butyl-[[4-(2-iodophenyl)phenyl]methyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[butyl-[[4-(2-iodophenyl)phenyl]methyl]amino]pyrimidine-5-carboxylate Traditional Name: 4-[butyl-[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:

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2I)C3=NC=NC=C3C(=O)OCC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2I)C3=NC=NC=C3C(=O)OCC

InChI

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