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

Systemtic Name: [6-azanyl-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-amino-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-amino-2-(2-hydroxyethylthio)-4-pyrimidinyl] ester IUPAC Name: [6-amino-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-amino-2-(2-hydroxyethylthio)pyrimidin-4-yl] ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCCO

InChI

InChI=1S/C13H15N3O4S2/c1-9-2-4-10(5-3-9)22(18,19)20-12-8-11(14)15-13(16-12)21-7-6-17/h2-5,8,17H,6-7H2,1H3,(H2,14,15,16)