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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholinopropyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(3-morpholinopropyl)benzamide Formula: C25H36ClN5O2S MolecularWeight: 506.10364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCCN3CCOCC3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCCN3CCOCC3)Cl

InChI

InChI=1S/C25H36ClN5O2S/c1-3-10-31(11-4-2)23-18-22(26)28-25(29-23)34-19-20-7-5-8-21(17-20)24(32)27-9-6-12-30-13-15-33-16-14-30/h5,7-8,17-18H,3-4,6,9-16,19H2,1-2H3,(H,27,32)