(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 4-azidobenzoate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 4-azidobenzoate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 4-azidobenzoate CAS Name: 4-azidobenzoic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 4-azidobenzoate Traditional Name: 4-azidobenzoic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C14H10N8O3 MolecularWeight: 338.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N)N=[N+]=[N-]

InChI

InChI=1S/C14H10N8O3/c15-14-19-11-10(12(23)20-14)18-9(5-17-11)6-25-13(24)7-1-3-8(4-2-7)21-22-16/h1-5H,6H2,(H3,15,17,19,20,23)