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

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-oxidanylbenzoate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N)O

InChI

InChI=1S/C14H11N5O4/c15-14-18-11-10(12(21)19-14)17-7(5-16-11)6-23-13(22)8-3-1-2-4-9(8)20/h1-5,20H,6H2,(H3,15,16,18,19,21)