2-[(4-ethoxyphenyl)sulfonylamino]-7H-purin-6-olate

Systemtic Name: 2-[(4-ethoxyphenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(4-ethoxyphenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(4-ethoxyphenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-(p-phenetylsulfonylamino)-7H-purin-6-olate Formula: C13H12N5O4S- MolecularWeight: 334.33048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3

InChI

InChI=1S/C13H13N5O4S/c1-2-22-8-3-5-9(6-4-8)23(20,21)18-13-16-11-10(12(19)17-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)/p-1