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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CC3=C(C=C2)N=CN=C3N

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CC3=C(C=C2)N=CN=C3N

InChI

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