sodium 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonate

Systemtic Name: sodium 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonate Openeye Name: sodium 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonate CAS Name: sodium 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonate IUPAC Name: sodium 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonate Traditional Name: sodium 7-cyano-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-4-sulfonate Formula: C13H7N4NaO3S MolecularWeight: 322.27445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)S(=O)(=O)[O-])NC=C3C#N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)S(=O)(=O)[O-])NC=C3C#N.[Na+]

InChI

InChI=1S/C13H8N4O3S.Na/c14-6-9-7-15-11-10(9)16-12(8-4-2-1-3-5-8)17-13(11)21(18,19)20;/h1-5,7,15H,(H,18,19,20);/q;+1/p-1