4-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethoxy]benzenesulfonamide CAS Name: 4-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylethoxy]benzenesulfonamide Traditional Name: 4-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]ethoxy]benzenesulfonamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCCOC2=CC=C(C=C2)S(=O)(=O)N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCCOC2=CC=C(C=C2)S(=O)(=O)N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O3S2/c1-2-17-18(13-3-5-14(21)6-4-13)19(22)25-20(24-17)29-12-11-28-15-7-9-16(10-8-15)30(23,26)27/h3-10H,2,11-12H2,1H3,(H2,22,24,25)(H2,23,26,27)