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

Systemtic Name: N-aminocarbonyl-2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-carbamoyl-propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-carbamoyl-propionamide Formula: C16H18ClN5O2S MolecularWeight: 379.86442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC(=O)N)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC(=O)N)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN5O2S/c1-3-11-12(9-4-6-10(17)7-5-9)13(18)21-16(20-11)25-8(2)14(23)22-15(19)24/h4-8H,3H2,1-2H3,(H2,18,20,21)(H3,19,22,23,24)