N-(4-butoxyphenyl)-5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-(4-butoxyphenyl)-5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(4-butoxyphenyl)-5-chloro-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-(4-butoxyphenyl)-5-chloro-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: N-(4-butoxyphenyl)-5-chloro-2-mesyl-pyrimidine-4-carboxamide Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C

InChI

InChI=1S/C16H18ClN3O4S/c1-3-4-9-24-12-7-5-11(6-8-12)19-15(21)14-13(17)10-18-16(20-14)25(2,22)23/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)