2-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[(2,4-diamino-5-methyl-quinazoline-6-carbonyl)amino]pentanedioic acid CAS Name: 2-[[(2,4-diamino-5-methyl-6-quinazolinyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(2,4-diamino-5-methylquinazoline-6-carbonyl)amino]pentanedioic acid Traditional Name: 2-[(2,4-diamino-5-methyl-quinazoline-6-carbonyl)amino]glutaric acid Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H17N5O5/c1-6-7(2-3-8-11(6)12(16)20-15(17)19-8)13(23)18-9(14(24)25)4-5-10(21)22/h2-3,9H,4-5H2,1H3,(H,18,23)(H,21,22)(H,24,25)(H4,16,17,19,20)