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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetamide Formula: C17H19ClN4OS MolecularWeight: 362.87696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4OS/c1-3-9-20-14(23)10-24-17-21-13(4-2)15(16(19)22-17)11-5-7-12(18)8-6-11/h3,5-8H,1,4,9-10H2,2H3,(H,20,23)(H2,19,21,22)