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

Systemtic Name: [6-azanyl-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl] 2-chloranylbenzenesulfonate Openeye Name: [6-amino-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [6-amino-2-(2-hydroxyethylthio)-4-pyrimidinyl] ester IUPAC Name: [6-amino-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [6-amino-2-(2-hydroxyethylthio)pyrimidin-4-yl] ester Formula: C12H12ClN3O4S2 MolecularWeight: 361.82438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCCO)Cl

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCCO)Cl

InChI

InChI=1S/C12H12ClN3O4S2/c13-8-3-1-2-4-9(8)22(18,19)20-11-7-10(14)15-12(16-11)21-6-5-17/h1-4,7,17H,5-6H2,(H2,14,15,16)