N-(3-chloranyl-4-methoxy-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)OC)Cl)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2)OC)Cl)SC

InChI

InChI=1S/C16H18ClN3O2S/c1-4-5-13-11(9-18-16(20-13)23-3)15(21)19-10-6-7-14(22-2)12(17)8-10/h6-9H,4-5H2,1-3H3,(H,19,21)