4-[[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)amino]methyl]benzoate Openeye Name: 4-[[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)amino]methyl]benzoate IUPAC Name: 4-[[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)amino]methyl]benzoate Formula: C14H13N6O3- MolecularWeight: 313.29142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(N1)NC(=NC2=O)N)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)16-5-7-1-3-8(4-2-7)13(22)23/h1-4H,5-6H2,(H,16,18)(H,22,23)(H4,15,17,19,20,21)/p-1