2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)but-3-en-2-ylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)but-3-en-2-ylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]allylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-en-2-ylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-en-2-ylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl]allylamino]benzoyl]amino]glutaric acid Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1=CC2=C(C=C1)NC(=NC2=O)N)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C=CC(CC1=CC2=C(C=C1)NC(=NC2=O)N)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

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