2-azanyl-5-[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzenesulfonic acid Openeye Name: 2-amino-5-[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzenesulfonic acid CAS Name: 2-amino-5-[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]benzenesulfonic acid IUPAC Name: 2-amino-5-[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzenesulfonic acid Traditional Name: 2-amino-5-[(2-amino-4-keto-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]besylic acid Formula: C13H12N6O4S MolecularWeight: 348.33718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=C3C(=NC(=NC3=O)N)N=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NCC2=C3C(=NC(=NC3=O)N)N=C2)S(=O)(=O)O)N

InChI

InChI=1S/C13H12N6O4S/c14-8-2-1-7(3-9(8)24(21,22)23)16-4-6-5-17-11-10(6)12(20)19-13(15)18-11/h1-3,5,16H,4,14H2,(H2,15,19,20)(H,21,22,23)