2-[5-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentanoylamino]pentanedioic acid

Systemtic Name: 2-[5-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentanoylamino]pentanedioic acid Openeye Name: 2-[5-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentanoylamino]pentanedioic acid CAS Name: 2-[[5-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[5-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentanoylamino]pentanedioic acid Traditional Name: 2-[5-(6-amino-4-keto-7H-pyrrolo[2,3-d]pyrimidin-3-yl)pentanoylamino]glutaric acid Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O6/c17-11-7-9-14(20-11)18-8-21(15(9)25)6-2-1-3-12(22)19-10(16(26)27)4-5-13(23)24/h7-8,10,20H,1-6,17H2,(H,19,22)(H,23,24)(H,26,27)