2-[11-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]undecanoylamino]pentanedioic acid

Systemtic Name: 2-[11-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]undecanoylamino]pentanedioic acid Openeye Name: 2-[11-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)undecanoylamino]pentanedioic acid CAS Name: 2-[[11-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-oxoundecyl]amino]pentanedioic acid IUPAC Name: 2-[11-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)undecanoylamino]pentanedioic acid Traditional Name: 2-[11-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)undecanoylamino]glutaric acid Formula: C20H33N5O6 MolecularWeight: 439.50592

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(=O)NC(CCC(=O)O)C(=O)O)CCCCC1=C(NC(=NC1=O)N)N

Isomeric SMILES

C(CCCCCC(=O)NC(CCC(=O)O)C(=O)O)CCCCC1=C(NC(=NC1=O)N)N

InChI

InChI=1S/C20H33N5O6/c21-17-13(18(29)25-20(22)24-17)9-7-5-3-1-2-4-6-8-10-15(26)23-14(19(30)31)11-12-16(27)28/h14H,1-12H2,(H,23,26)(H,27,28)(H,30,31)(H5,21,22,24,25,29)