2-[6-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)hexanoylamino]pentanedioic acid

Systemtic Name: 2-[6-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)hexanoylamino]pentanedioic acid Openeye Name: 2-[6-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)hexanoylamino]pentanedioic acid CAS Name: 2-[[6-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-1-oxohexyl]amino]pentanedioic acid IUPAC Name: 2-[6-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)hexanoylamino]pentanedioic acid Traditional Name: 2-[6-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)hexanoylamino]glutaric acid Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1)NC(=NC2=O)N)CCCCCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(C2=C(N1)NC(=NC2=O)N)CCCCCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H23N5O6/c18-17-21-14-13(15(26)22-17)9(8-19-14)4-2-1-3-5-11(23)20-10(16(27)28)6-7-12(24)25/h8,10H,1-7H2,(H,20,23)(H,24,25)(H,27,28)(H4,18,19,21,22,26)