N-(4-butylphenyl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(4-butylphenyl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-butylphenyl)-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-butylphenyl)-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-butylphenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-butylphenyl)-3-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C

InChI

InChI=1S/C18H23N3OS/c1-3-4-5-15-6-8-16(9-7-15)21-17(22)10-11-23-18-12-14(2)19-13-20-18/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)