2-[[4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[allyl-(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)-prop-2-enylamino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[allyl-(2-amino-4-keto-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C=CCN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C24H25N5O6/c1-2-11-29(16-7-8-18-17(12-16)22(33)28-24(25)27-18)13-14-3-5-15(6-4-14)21(32)26-19(23(34)35)9-10-20(30)31/h2-8,12,19H,1,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)