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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylate Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylate Formula: C14H13N6O3- MolecularWeight: 313.29142

Click to see the large picture

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)/p-1