2-[[4-[(2,4-diazidopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2,4-diazidopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2,4-diazidopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,4-diazido-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2,4-diazidopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2,4-diazidopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C20H18N12O5 MolecularWeight: 506.43432

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N=[N+]=[N-])N=[N+]=[N-])C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N=[N+]=[N-])N=[N+]=[N-])C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H18N12O5/c1-32(9-11-8-23-16-15(24-11)17(28-30-21)27-20(26-16)29-31-22)12-4-2-10(3-5-12)18(35)25-13(19(36)37)6-7-14(33)34/h2-5,8,13H,6-7,9H2,1H3,(H,25,35)(H,33,34)(H,36,37)