6-azanyl-9-(phenylmethyl)purine-8-sulfonate

Systemtic Name: 6-azanyl-9-(phenylmethyl)purine-8-sulfonate Openeye Name: 6-amino-9-benzyl-purine-8-sulfonate CAS Name: 6-amino-9-(phenylmethyl)-8-purinesulfonate IUPAC Name: 6-amino-9-benzylpurine-8-sulfonate Traditional Name: 6-amino-9-benzyl-purine-8-sulfonate Formula: C12H10N5O3S- MolecularWeight: 304.3045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2S(=O)(=O)[O-]

InChI

InChI=1S/C12H11N5O3S/c13-10-9-11(15-7-14-10)17(12(16-9)21(18,19)20)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15)(H,18,19,20)/p-1