[6-azanyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 2-chloranylbenzenesulfonate

Systemtic Name: [6-azanyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 2-chloranylbenzenesulfonate Openeye Name: [6-amino-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [6-amino-2-[(2-chlorophenyl)methylthio]-4-pyrimidinyl] ester IUPAC Name: [6-amino-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [6-amino-2-[(2-chlorobenzyl)thio]pyrimidin-4-yl] ester Formula: C17H13Cl2N3O3S2 MolecularWeight: 442.33942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)OS(=O)(=O)C3=CC=CC=C3Cl)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)OS(=O)(=O)C3=CC=CC=C3Cl)N)Cl

InChI

InChI=1S/C17H13Cl2N3O3S2/c18-12-6-2-1-5-11(12)10-26-17-21-15(20)9-16(22-17)25-27(23,24)14-8-4-3-7-13(14)19/h1-9H,10H2,(H2,20,21,22)