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

Systemtic Name: N-aminocarbonyl-3-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-carbamoyl-propanamide CAS Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-carbamoylpropanamide IUPAC Name: 3-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: 3-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-carbamoyl-propionamide Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O2S/c1-2-11-13(9-3-5-10(17)6-4-9)14(18)22-16(20-11)25-8-7-12(23)21-15(19)24/h3-6H,2,7-8H2,1H3,(H2,18,20,22)(H3,19,21,23,24)