4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1C=C(C=CC1C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H14N6O3/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)23/h1,3-4,6-7,16H,2,5H2,(H,22,23)(H3,15,17,19,20,21)