4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[4-(diethylamino)-1-methyl-butyl]benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[5-(diethylamino)pentan-2-yl]benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-[4-(diethylamino)-1-methyl-butyl]benzamide Formula: C25H36ClN5OS MolecularWeight: 490.10424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C25H36ClN5OS/c1-4-30(5-2)14-8-9-19(3)27-24(32)21-12-10-20(11-13-21)18-33-25-28-22(26)17-23(29-25)31-15-6-7-16-31/h10-13,17,19H,4-9,14-16,18H2,1-3H3,(H,27,32)