2-[9-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]nonylamino]pentanedioic acid

Systemtic Name: 2-[9-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]nonylamino]pentanedioic acid Openeye Name: 2-[9-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)nonylamino]pentanedioic acid CAS Name: 2-[9-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)nonylamino]pentanedioic acid IUPAC Name: 2-[9-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)nonylamino]pentanedioic acid Traditional Name: 2-[9-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)nonylamino]glutaric acid Formula: C18H31N5O5 MolecularWeight: 397.46924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O5/c19-15-12(16(26)23-18(20)22-15)8-6-4-2-1-3-5-7-11-21-13(17(27)28)9-10-14(24)25/h13,21H,1-11H2,(H,24,25)(H,27,28)(H5,19,20,22,23,26)