N-[2-(cyclohexen-1-yl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C20H23N3OS/c1-25-20-22-14-17(18(23-20)16-10-6-3-7-11-16)19(24)21-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H,21,24)