2-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid

Systemtic Name: 2-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid Openeye Name: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-benzoyl-amino]pentanedioic acid CAS Name: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-benzoylamino]pentanedioic acid IUPAC Name: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-benzoylamino]pentanedioic acid Traditional Name: 2-[[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-benzoyl-amino]glutaric acid Formula: C24H23N5O6 MolecularWeight: 477.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O6/c1-2-12-28(14-15-8-9-18-17(13-15)21(32)27-24(25)26-18)29(19(23(34)35)10-11-20(30)31)22(33)16-6-4-3-5-7-16/h1,3-9,13,19H,10-12,14H2,(H,30,31)(H,34,35)(H3,25,26,27,32)