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

Systemtic Name: N-(4-butoxyphenyl)-4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(4-butoxyphenyl)-4-chloro-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-(4-butoxyphenyl)-4-chloro-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-(4-butoxyphenyl)-4-chloro-2-(methylthio)pyrimidine-5-carboxamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2Cl)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2Cl)SC

InChI

InChI=1S/C16H18ClN3O2S/c1-3-4-9-22-12-7-5-11(6-8-12)19-15(21)13-10-18-16(23-2)20-14(13)17/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)