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

Systemtic Name: 2-[[4-[[(4-azanyl-2-methyl-quinazolin-6-yl)-methyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(4-amino-2-methyl-quinazolin-6-yl)-methyl-amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(4-amino-2-methyl-6-quinazolinyl)-methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(4-amino-2-methylquinazolin-6-yl)-methylamino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(4-amino-2-methyl-quinazolin-6-yl)-methyl-amino]methyl]benzoyl]amino]glutaric acid Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)N(C)CC3=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)N(C)CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=N1)N

InChI

InChI=1S/C23H25N5O5/c1-13-25-18-8-7-16(11-17(18)21(24)26-13)28(2)12-14-3-5-15(6-4-14)22(31)27-19(23(32)33)9-10-20(29)30/h3-8,11,19H,9-10,12H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H2,24,25,26)