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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C18H22ClN5O2S MolecularWeight: 407.91758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O2S/c1-3-9-21-17(26)23-14(25)10-27-18-22-13(4-2)15(16(20)24-18)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H2,20,22,24)(H2,21,23,25,26)