[6-azanyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [6-azanyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [6-amino-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [6-amino-2-[(2-chlorophenyl)methylthio]-4-pyrimidinyl] ester IUPAC Name: [6-amino-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid [6-amino-2-[(2-chlorobenzyl)thio]pyrimidin-4-yl] ester Formula: C23H21ClN4O3S2 MolecularWeight: 501.02084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=NC(=NC(=C3)N)SCC4=CC=CC=C4Cl

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=NC(=NC(=C3)N)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C23H21ClN4O3S2/c1-28(2)19-11-5-9-17-16(19)8-6-12-20(17)33(29,30)31-22-13-21(25)26-23(27-22)32-14-15-7-3-4-10-18(15)24/h3-13H,14H2,1-2H3,(H2,25,26,27)