2-[7-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]heptanoylamino]pentanedioic acid

Systemtic Name: 2-[7-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]heptanoylamino]pentanedioic acid Openeye Name: 2-[7-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)heptanoylamino]pentanedioic acid CAS Name: 2-[[7-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-oxoheptyl]amino]pentanedioic acid IUPAC Name: 2-[7-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)heptanoylamino]pentanedioic acid Traditional Name: 2-[7-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)heptanoylamino]glutaric acid Formula: C16H25N5O6 MolecularWeight: 383.3996

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)NC(CCC(=O)O)C(=O)O)CCC1=C(NC(=NC1=O)N)N

Isomeric SMILES

C(CCCC(=O)NC(CCC(=O)O)C(=O)O)CCC1=C(NC(=NC1=O)N)N

InChI

InChI=1S/C16H25N5O6/c17-13-9(14(25)21-16(18)20-13)5-3-1-2-4-6-11(22)19-10(15(26)27)7-8-12(23)24/h10H,1-8H2,(H,19,22)(H,23,24)(H,26,27)(H5,17,18,20,21,25)