2-[6-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)hexanoylamino]pentanedioic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC2=C1C(=O)N(C=N2)CCCCCC(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

C1=C(NC2=C1C(=O)N(C=N2)CCCCCC(=O)NC(CCC(=O)O)C(=O)O)N

InChI

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