2-[8-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]octanoylamino]pentanedioic acid

Systemtic Name: 2-[8-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]octanoylamino]pentanedioic acid Openeye Name: 2-[8-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)octanoylamino]pentanedioic acid CAS Name: 2-[[8-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-oxooctyl]amino]pentanedioic acid IUPAC Name: 2-[8-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)octanoylamino]pentanedioic acid Traditional Name: 2-[8-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)octanoylamino]glutaric acid Formula: C17H27N5O6 MolecularWeight: 397.42618

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC1=C(NC(=NC1=O)N)N)CCCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C(CCCC1=C(NC(=NC1=O)N)N)CCCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H27N5O6/c18-14-10(15(26)22-17(19)21-14)6-4-2-1-3-5-7-12(23)20-11(16(27)28)8-9-13(24)25/h11H,1-9H2,(H,20,23)(H,24,25)(H,27,28)(H5,18,19,21,22,26)