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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(1-methyl-3-phenyl-propyl)benzamide Formula: C26H29ClN4OS MolecularWeight: 481.05266

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C26H29ClN4OS/c1-19(9-10-20-7-3-2-4-8-20)28-25(32)22-13-11-21(12-14-22)18-33-26-29-23(27)17-24(30-26)31-15-5-6-16-31/h2-4,7-8,11-14,17,19H,5-6,9-10,15-16,18H2,1H3,(H,28,32)