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

Systemtic Name: 2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]-2-methyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[1-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]-2-methyl-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]-2-methylphenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]-2-methylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]-2-methyl-benzoyl]amino]glutaric acid Formula: C25H25N5O6 MolecularWeight: 491.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(CC2=CC3=C(C=C2)NC(=NC3=O)N)C#C)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(CC2=CC3=C(C=C2)NC(=NC3=O)N)C#C)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H25N5O6/c1-3-15(11-14-4-7-19-18(12-14)23(34)30-25(26)29-19)27-16-5-6-17(13(2)10-16)22(33)28-20(24(35)36)8-9-21(31)32/h1,4-7,10,12,15,20,27H,8-9,11H2,2H3,(H,28,33)(H,31,32)(H,35,36)(H3,26,29,30,34)