4-chloranyl-N-[6-[[6-oxidanylidene-5-(pyridin-3-ylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexyl]benzamide

Systemtic Name: 4-chloranyl-N-[6-[[6-oxidanylidene-5-(pyridin-3-ylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexyl]benzamide Openeye Name: 4-chloro-N-[6-[[6-oxo-5-(3-pyridylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexyl]benzamide CAS Name: 4-chloro-N-[6-[[6-oxo-5-(3-pyridinylmethyl)-1H-pyrimidin-2-yl]thio]hexyl]benzamide IUPAC Name: 4-chloro-N-[6-[[6-oxo-5-(pyridin-3-ylmethyl)-1H-pyrimidin-2-yl]sulfanyl]hexyl]benzamide Traditional Name: 4-chloro-N-[6-[[6-keto-5-(3-pyridylmethyl)-1H-pyrimidin-2-yl]thio]hexyl]benzamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN4O2S/c24-20-9-7-18(8-10-20)21(29)26-12-3-1-2-4-13-31-23-27-16-19(22(30)28-23)14-17-6-5-11-25-15-17/h5-11,15-16H,1-4,12-14H2,(H,26,29)(H,27,28,30)