2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(butylcarbamoyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(butylcarbamoyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(butylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[butylamino(oxo)methyl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(butylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(butylcarbamoyl)acetamide Formula: C19H24ClN5O2S MolecularWeight: 421.94416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NC(=C(C(=N1)N)C2=CC=C(C=C2)Cl)CC

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NC(=C(C(=N1)N)C2=CC=C(C=C2)Cl)CC

InChI

InChI=1S/C19H24ClN5O2S/c1-3-5-10-22-18(27)24-15(26)11-28-19-23-14(4-2)16(17(21)25-19)12-6-8-13(20)9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H2,21,23,25)(H2,22,24,26,27)