2-[[4-[[2-(aminomethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-[[2-(aminomethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-[[2-(aminomethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[[2-(aminomethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-[[2-(aminomethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]butanedioic acid Traditional Name: 2-[[4-[[2-(aminomethyl)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]succinic 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)CN)C3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

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