5-chloranyl-2-ethylsulfonyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfonyl-N-(p-tolylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[(4-methylphenyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-(4-methylbenzyl)pyrimidine-4-carboxamide Formula: C15H16ClN3O3S MolecularWeight: 353.82384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-3-23(21,22)15-18-9-12(16)13(19-15)14(20)17-8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,17,20)