2-[[4-[(2-azanylpteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: 2-[[4-[(2-azanylpteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: 2-[[4-[(2-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: 2-[[4-[(2-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-aminopteridin-6-yl)methylamino]benzoyl]amino]glutarate Formula: C19H17N7O5-2 MolecularWeight: 423.38218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)[O-])NCC2=NC3=CN=C(N=C3N=C2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)[O-])NCC2=NC3=CN=C(N=C3N=C2)N

InChI

InChI=1S/C19H19N7O5/c20-19-23-9-14-16(26-19)22-8-12(24-14)7-21-11-3-1-10(2-4-11)17(29)25-13(18(30)31)5-6-15(27)28/h1-4,8-9,13,21H,5-7H2,(H,25,29)(H,27,28)(H,30,31)(H2,20,22,23,26)/p-2