3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C26H31ClN4OS MolecularWeight: 483.06854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H31ClN4OS/c1-3-4-5-9-15-28-25(32)22-14-10-13-21(16-22)19-33-26-29-23(27)17-24(30-26)31(2)18-20-11-7-6-8-12-20/h6-8,10-14,16-17H,3-5,9,15,18-19H2,1-2H3,(H,28,32)