sodium [4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] sulfate

Systemtic Name: sodium [4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] sulfate Openeye Name: sodium [4-(2,4,7-triaminopteridin-6-yl)phenyl] sulfate CAS Name: sodium [4-(2,4,7-triamino-6-pteridinyl)phenyl] sulfate IUPAC Name: sodium [4-(2,4,7-triaminopteridin-6-yl)phenyl] sulfate Traditional Name: sodium [4-(2,4,7-triaminopteridin-6-yl)phenyl] sulfate Formula: C12H10N7NaO4S MolecularWeight: 371.30707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N=C2N)N=C(N=C3N)N)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N=C2N)N=C(N=C3N)N)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H11N7O4S.Na/c13-9-7(5-1-3-6(4-2-5)23-24(20,21)22)16-8-10(14)18-12(15)19-11(8)17-9;/h1-4H,(H,20,21,22)(H6,13,14,15,17,18,19);/q;+1/p-1