N-[4-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetyl]phenyl]methanesulfonamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c1-3-17-19(14-4-8-15(22)9-5-14)20(23)25-21(24-17)30-12-18(27)13-6-10-16(11-7-13)26-31(2,28)29/h4-11,26H,3,12H2,1-2H3,(H2,23,24,25)