2-[[4-[[(4-azanyl-2-methyl-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(4-azanyl-2-methyl-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(4-amino-2-methyl-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(4-amino-2-methyl-6-quinazolinyl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(4-amino-2-methylquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(4-amino-2-methyl-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=N1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=N1)N

InChI

InChI=1S/C22H23N5O5/c1-12-25-17-7-6-15(10-16(17)20(23)26-12)24-11-13-2-4-14(5-3-13)21(30)27-18(22(31)32)8-9-19(28)29/h2-7,10,18,24H,8-9,11H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H2,23,25,26)