disodium 2-[azanyl-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-amino]pentanedioate

Systemtic Name: disodium 2-[azanyl-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-amino]pentanedioate Openeye Name: disodium 2-[amino-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: disodium 2-[amino-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: disodium 2-[amino-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: disodium 2-[amino-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutarate Formula: C19H18N8Na2O6 MolecularWeight: 500.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C(CCC(=O)[O-])C(=O)[O-])N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(C(CCC(=O)[O-])C(=O)[O-])N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.[Na+].[Na+]

InChI

InChI=1S/C19H20N8O6.2Na/c20-19-25-15-14(16(30)26-19)24-11(8-23-15)7-22-10-3-1-9(2-4-10)17(31)27(21)12(18(32)33)5-6-13(28)29;;/h1-4,8,12,22H,5-7,21H2,(H,28,29)(H,32,33)(H3,20,23,25,26,30);;/q;2*+1/p-2