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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-ethoxy-benzamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S/c1-2-25-22-17(24)14-7-5-13(6-8-14)12-26-18-20-15(19)11-16(21-18)23-9-3-4-10-23/h5-8,11H,2-4,9-10,12H2,1H3,(H,22,24)