phosphono 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoate

Systemtic Name: phosphono 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoate Openeye Name: phosphono 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid phosphono ester IUPAC Name: phosphono 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoate Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid phosphono ester Formula: C14H13N6O6P MolecularWeight: 392.263381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OP(=O)(O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OP(=O)(O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H13N6O6P/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)26-27(23,24)25/h1-4,6,16H,5H2,(H2,23,24,25)(H3,15,17,19,20,21)