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

Systemtic Name: [4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] hydrogen sulfate Openeye Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(2,4,7-triamino-6-pteridinyl)phenyl] ester IUPAC Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(2,4,7-triaminopteridin-6-yl)phenyl] ester Formula: C12H11N7O4S MolecularWeight: 349.32524

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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

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N=C2N)N=C(N=C3N)N)OS(=O)(=O)O

InChI

InChI=1S/C12H11N7O4S/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)