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

Systemtic Name: 4-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 4-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 4-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]benzamide Formula: C25H29ClN4OS MolecularWeight: 469.04196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4OS/c1-3-4-8-15-27-24(31)21-13-11-20(12-14-21)18-32-25-28-22(26)16-23(29-25)30(2)17-19-9-6-5-7-10-19/h5-7,9-14,16H,3-4,8,15,17-18H2,1-2H3,(H,27,31)