2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-pyridylmethyl)phenyl]acetamide CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-[4-(4-pyridylmethyl)phenyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H22N4O2S/c1-2-3-18-13-19(26)25-21(24-18)28-14-20(27)23-17-6-4-15(5-7-17)12-16-8-10-22-11-9-16/h4-11,13H,2-3,12,14H2,1H3,(H,23,27)(H,24,25,26)