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

Systemtic Name: 2-[[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]phenyl]-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]phenyl]-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]-hydroxy-phosphoryl]methyl]glutaric acid Formula: C20H23N6O7P MolecularWeight: 490.406381

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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)P(=O)(CC(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)P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C20H23N6O7P/c1-26(9-12-8-22-17-16(23-12)18(29)25-20(21)24-17)13-3-5-14(6-4-13)34(32,33)10-11(19(30)31)2-7-15(27)28/h3-6,8,11H,2,7,9-10H2,1H3,(H,27,28)(H,30,31)(H,32,33)(H3,21,22,24,25,29)