bis(2-hydroxyethyl) 2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylpentanedioate

Systemtic Name: bis(2-hydroxyethyl) 2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylpentanedioate Openeye Name: bis(2-hydroxyethyl) 2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]pentanedioate CAS Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]pentanedioic acid bis(2-hydroxyethyl) ester IUPAC Name: bis(2-hydroxyethyl) 2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]pentanedioate Traditional Name: 2-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]glutaric acid bis(2-hydroxyethyl) ester Formula: C23H26N6O8 MolecularWeight: 514.48794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCC(=O)OCCO)C(=O)OCCO)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCC(=O)OCCO)C(=O)OCCO)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C23H26N6O8/c24-23-28-20-18(21(34)29-23)27-15(12-26-20)11-25-14-3-1-13(2-4-14)19(33)16(22(35)37-10-8-31)5-6-17(32)36-9-7-30/h1-4,12,16,25,30-31H,5-11H2,(H3,24,26,28,29,34)