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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]succinic acid Formula: C23H21N5O6 MolecularWeight: 463.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N5O6/c1-2-9-28(12-13-3-8-17-16(10-13)21(32)27-23(24)26-17)15-6-4-14(5-7-15)20(31)25-18(22(33)34)11-19(29)30/h1,3-8,10,18H,9,11-12H2,(H,25,31)(H,29,30)(H,33,34)(H3,24,26,27,32)