sodium 4-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid

Systemtic Name: sodium 4-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid Openeye Name: sodium 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid CAS Name: sodium 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid IUPAC Name: sodium 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid Traditional Name: sodium 4-[2-(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]benzoic acid Formula: C15H18N6NaO3+ MolecularWeight: 353.33159

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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.[Na+]

Isomeric SMILES

C1C(NC2=C(N1)NC(=NC2=O)N)CCNC3=CC=C(C=C3)C(=O)O.[Na+]

InChI

InChI=1S/C15H18N6O3.Na/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;/h1-4,10,17,19H,5-7H2,(H,23,24)(H4,16,18,20,21,22);/q;+1