(2-methylsulfanyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl) methanesulfonate

Systemtic Name: (2-methylsulfanyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl) methanesulfonate Openeye Name: (2-methylsulfanyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl) methanesulfonate CAS Name: methanesulfonic acid [2-(methylthio)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl] ester IUPAC Name: (2-methylsulfanyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl) methanesulfonate Traditional Name: methanesulfonic acid [2-(methylthio)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl] ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)OS(=O)(=O)C)NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(C(=N1)OS(=O)(=O)C)NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3O3S2/c1-21-14-16-11-8-10(9-6-4-3-5-7-9)15-12(11)13(17-14)20-22(2,18)19/h3-8,15H,1-2H3