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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(3-methoxypropyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(3-methoxypropyl)benzamide Formula: C22H31ClN4O2S MolecularWeight: 451.02514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4O2S/c1-4-11-27(12-5-2)20-15-19(23)25-22(26-20)30-16-17-8-6-9-18(14-17)21(28)24-10-7-13-29-3/h6,8-9,14-15H,4-5,7,10-13,16H2,1-3H3,(H,24,28)