3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-(3-methoxypropyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-(3-methoxypropyl)benzamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCCOC)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCCOC)Cl

InChI

InChI=1S/C18H23ClN4O2S/c1-23(2)16-11-15(19)21-18(22-16)26-12-13-6-4-7-14(10-13)17(24)20-8-5-9-25-3/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,20,24)