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

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)ethylamino]benzoate Openeye Name: 4-[2-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)ethylamino]benzoate CAS Name: 4-[2-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)ethylamino]benzoate IUPAC Name: 4-[2-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)ethylamino]benzoate Traditional Name: 4-[2-(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)ethylamino]benzoate Formula: C15H15N6O3- MolecularWeight: 327.318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(N1)NC(=NC2=O)N)CCNC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CCNC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H16N6O3/c16-15-20-12-11(13(22)21-15)19-10(7-18-12)5-6-17-9-3-1-8(2-4-9)14(23)24/h1-4,17H,5-7H2,(H,23,24)(H4,16,18,20,21,22)/p-1