(6-azanyl-2-pentylsulfanyl-pyrimidin-4-yl) 2-chloranylbenzenesulfonate

Systemtic Name: (6-azanyl-2-pentylsulfanyl-pyrimidin-4-yl) 2-chloranylbenzenesulfonate Openeye Name: (6-amino-2-pentylsulfanyl-pyrimidin-4-yl) 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [6-amino-2-(pentylthio)-4-pyrimidinyl] ester IUPAC Name: (6-amino-2-pentylsulfanylpyrimidin-4-yl) 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [6-amino-2-(amylthio)pyrimidin-4-yl] ester Formula: C15H18ClN3O3S2 MolecularWeight: 387.90472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=CC(=N1)OS(=O)(=O)C2=CC=CC=C2Cl)N

Isomeric SMILES

CCCCCSC1=NC(=CC(=N1)OS(=O)(=O)C2=CC=CC=C2Cl)N

InChI

InChI=1S/C15H18ClN3O3S2/c1-2-3-6-9-23-15-18-13(17)10-14(19-15)22-24(20,21)12-8-5-4-7-11(12)16/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,17,18,19)