3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide

Systemtic Name: 3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Openeye Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide CAS Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Traditional Name: 3-[[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)SCCC(=O)NC(=O)NC2CCCC2)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O2S/c1-2-16-18(13-7-9-14(22)10-8-13)19(23)27-21(25-16)30-12-11-17(28)26-20(29)24-15-5-3-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H2,23,25,27)(H2,24,26,28,29)