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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(cyclopentylcarbamoyl)propionamide Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC(=O)NC2CCCC2)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC(=O)NC2CCCC2)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-3-16-17(13-8-10-14(22)11-9-13)18(23)26-21(25-16)30-12(2)19(28)27-20(29)24-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29)