methyl 6-butyl-5-[(4-iodophenyl)methyl]-2-methyl-pyrimidine-4-carboxylate

Systemtic Name: methyl 6-butyl-5-[(4-iodophenyl)methyl]-2-methyl-pyrimidine-4-carboxylate Openeye Name: methyl 6-butyl-5-[(4-iodophenyl)methyl]-2-methyl-pyrimidine-4-carboxylate CAS Name: 6-butyl-5-[(4-iodophenyl)methyl]-2-methyl-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-butyl-5-[(4-iodophenyl)methyl]-2-methylpyrimidine-4-carboxylate Traditional Name: 6-butyl-5-(4-iodobenzyl)-2-methyl-pyrimidine-4-carboxylic acid methyl ester Formula: C18H21IN2O2 MolecularWeight: 424.27601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1CC2=CC=C(C=C2)I)C(=O)OC)C

Isomeric SMILES

CCCCC1=NC(=NC(=C1CC2=CC=C(C=C2)I)C(=O)OC)C

InChI

InChI=1S/C18H21IN2O2/c1-4-5-6-16-15(11-13-7-9-14(19)10-8-13)17(18(22)23-3)21-12(2)20-16/h7-10H,4-6,11H2,1-3H3