2-[5-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentanoylamino]pentanedioic acid

Systemtic Name: 2-[5-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pentanoylamino]pentanedioic acid Openeye Name: 2-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentanoylamino]pentanedioic acid CAS Name: 2-[[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[5-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentanoylamino]pentanedioic acid Traditional Name: 2-[5-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pentanoylamino]glutaric acid Formula: C14H21N5O6 MolecularWeight: 355.34644

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NC(CCC(=O)O)C(=O)O)CC1=C(NC(=NC1=O)N)N

Isomeric SMILES

C(CCC(=O)NC(CCC(=O)O)C(=O)O)CC1=C(NC(=NC1=O)N)N

InChI

InChI=1S/C14H21N5O6/c15-11-7(12(23)19-14(16)18-11)3-1-2-4-9(20)17-8(13(24)25)5-6-10(21)22/h8H,1-6H2,(H,17,20)(H,21,22)(H,24,25)(H5,15,16,18,19,23)