N-(2-ethyl-6-methyl-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=C(C=CC=C2CC)C)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=C(C=CC=C2CC)C)SC

InChI

InChI=1S/C18H23N3OS/c1-5-8-15-14(11-19-18(20-15)23-4)17(22)21-16-12(3)9-7-10-13(16)6-2/h7,9-11H,5-6,8H2,1-4H3,(H,21,22)