2-(2-benzamido-6-oxidanylidene-3H-purin-7-yl)ethyl methanesulfonate

Systemtic Name: 2-(2-benzamido-6-oxidanylidene-3H-purin-7-yl)ethyl methanesulfonate Openeye Name: 2-(2-benzamido-6-oxo-3H-purin-7-yl)ethyl methanesulfonate CAS Name: methanesulfonic acid 2-(2-benzamido-6-oxo-3H-purin-7-yl)ethyl ester IUPAC Name: 2-(2-benzamido-6-oxo-3H-purin-7-yl)ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-(2-benzamido-6-keto-3H-purin-7-yl)ethyl ester Formula: C15H15N5O5S MolecularWeight: 377.3751

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1C=NC2=C1C(=O)N=C(N2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCCN1C=NC2=C1C(=O)N=C(N2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H15N5O5S/c1-26(23,24)25-8-7-20-9-16-12-11(20)14(22)19-15(17-12)18-13(21)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,17,18,19,21,22)