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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-propylpropanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-propyl-propionamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC(=C(C(=N1)N)C2=CC=C(C=C2)Cl)CC

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC(=C(C(=N1)N)C2=CC=C(C=C2)Cl)CC

InChI

InChI=1S/C18H23ClN4OS/c1-4-10-21-17(24)11(3)25-18-22-14(5-2)15(16(20)23-18)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,24)(H2,20,22,23)