2-[[4-[methyl-[(4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[methyl-[(4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[methyl-[(4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[methyl-[(4-oxo-1H-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[methyl-[(4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-keto-1H-quinazolin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C22H22N4O6 MolecularWeight: 438.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O6/c1-26(11-13-2-7-17-16(10-13)21(30)24-12-23-17)15-5-3-14(4-6-15)20(29)25-18(22(31)32)8-9-19(27)28/h2-7,10,12,18H,8-9,11H2,1H3,(H,25,29)(H,27,28)(H,31,32)(H,23,24,30)