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

Systemtic Name: 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-7H-purin-6-olate CAS Name: 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-7H-purin-6-olate Traditional Name: 2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-7H-purin-6-olate Formula: C14H13N6O4S- MolecularWeight: 361.35582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3

InChI

InChI=1S/C14H14N6O4S/c1-8(21)15-6-9-2-4-10(5-3-9)25(23,24)20-14-18-12-11(13(22)19-14)16-7-17-12/h2-5,7H,6H2,1H3,(H,15,21)(H3,16,17,18,19,20,22)/p-1