N-(4-ethylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(4-ethylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-ethylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-ethylphenyl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-ethylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-ethylphenyl)-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC=NC(=C2)C

InChI

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