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

Systemtic Name: 4-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 4-[[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4OS/c1-4-6-7-12-23-20(27)17-10-8-16(9-11-17)15-28-21-24-18(22)14-19(25-21)26(3)13-5-2/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,23,27)