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

Systemtic Name: 3-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide Openeye Name: 3-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide CAS Name: 3-[[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-(3-methoxypropyl)benzamide IUPAC Name: 3-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide Traditional Name: 3-[[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-(3-methoxypropyl)benzamide Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/c1-4-10-25(2)18-13-17(21)23-20(24-18)28-14-15-7-5-8-16(12-15)19(26)22-9-6-11-27-3/h5,7-8,12-13H,4,6,9-11,14H2,1-3H3,(H,22,26)