[3-methoxy-4-(5-oxidanylidene-3,4-dihydroimidazo[4,5-b]pyrazin-2-yl)phenyl] methanesulfonate

Systemtic Name: [3-methoxy-4-(5-oxidanylidene-3,4-dihydroimidazo[4,5-b]pyrazin-2-yl)phenyl] methanesulfonate Openeye Name: [3-methoxy-4-(5-oxo-3,4-dihydroimidazo[4,5-b]pyrazin-2-yl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-methoxy-4-(5-oxo-3,4-dihydroimidazo[4,5-b]pyrazin-2-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(5-oxo-3,4-dihydroimidazo[4,5-b]pyrazin-2-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-keto-3,4-dihydroimidazo[4,5-b]pyrazin-2-yl)-3-methoxy-phenyl] ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)NC(=O)C=N3

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=NC3=C(N2)NC(=O)C=N3

InChI

InChI=1S/C13H12N4O5S/c1-21-9-5-7(22-23(2,19)20)3-4-8(9)11-16-12-13(17-11)15-10(18)6-14-12/h3-6H,1-2H3,(H2,14,15,16,17,18)