6-heptyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 6-heptyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 6-heptyl-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 6-heptyl-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 6-heptyl-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 6-heptyl-2-(methylthio)pyrimidine-4-carboxamide Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NC(=C1)C(=O)N)SC

Isomeric SMILES

CCCCCCCC1=NC(=NC(=C1)C(=O)N)SC

InChI

InChI=1S/C13H21N3OS/c1-3-4-5-6-7-8-10-9-11(12(14)17)16-13(15-10)18-2/h9H,3-8H2,1-2H3,(H2,14,17)