4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 4-amino-N-pyrimidin-2-yl-benzenesulfonamide; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 4-amino-N-(2-pyrimidinyl)benzenesulfonamide; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; 4-amino-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H23ClN8O2S MolecularWeight: 498.98842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H13ClN4.C10H10N4O2S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h3-6H,2H2,1H3,(H4,14,15,16,17);1-7H,11H2,(H,12,13,14)