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

Systemtic Name: 4-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide Openeye Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide CAS Name: 4-[[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N,N-diethylbenzamide IUPAC Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N,N-diethyl-benzamide Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(CC)CC)Cl

Isomeric SMILES

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(CC)CC)Cl

InChI

InChI=1S/C20H27ClN4OS/c1-5-12-24(4)18-13-17(21)22-20(23-18)27-14-15-8-10-16(11-9-15)19(26)25(6-2)7-3/h8-11,13H,5-7,12,14H2,1-4H3