2-[[2,4-bis(azanyl)quinazolin-6-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[2,4-bis(azanyl)quinazolin-6-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[(2,4-diaminoquinazoline-6-carbonyl)amino]pentanedioic acid CAS Name: 2-[[(2,4-diamino-6-quinazolinyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(2,4-diaminoquinazoline-6-carbonyl)amino]pentanedioic acid Traditional Name: 2-[(2,4-diaminoquinazoline-6-carbonyl)amino]glutaric acid Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=NC(=N2)N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=NC(=N2)N)N

InChI

InChI=1S/C14H15N5O5/c15-11-7-5-6(1-2-8(7)18-14(16)19-11)12(22)17-9(13(23)24)3-4-10(20)21/h1-2,5,9H,3-4H2,(H,17,22)(H,20,21)(H,23,24)(H4,15,16,18,19)