2-methylsulfanyl-N-phenethyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-phenethyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-N-phenethyl-4-propyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-phenethyl-4-propyl-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-N-phenethyl-4-propylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-phenethyl-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)NCCC2=CC=CC=C2)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)SC

InChI

InChI=1S/C17H21N3OS/c1-3-7-15-14(12-19-17(20-15)22-2)16(21)18-11-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,18,21)