2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid hydrate

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid hydrate Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid hydrate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid hydrate IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid hydrate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid hydrate Formula: C20H23N7O7 MolecularWeight: 473.43932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O

InChI

InChI=1S/C20H21N7O6.H2O/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31);1H2