N-(2,6-dimethylphenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=C(C=CC=C2C)C)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=C(C=CC=C2C)C)SC

InChI

InChI=1S/C17H21N3OS/c1-5-7-14-13(10-18-17(19-14)22-4)16(21)20-15-11(2)8-6-9-12(15)3/h6,8-10H,5,7H2,1-4H3,(H,20,21)