2-[[4-[2,4-bis(azanyl)quinazolin-6-yl]oxycarbonylphenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2,4-bis(azanyl)quinazolin-6-yl]oxycarbonylphenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(2,4-diaminoquinazolin-6-yl)oxycarbonylbenzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-quinazolinyl)oxy-oxomethyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(2,4-diaminoquinazolin-6-yl)oxycarbonylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(2,4-diaminoquinazolin-6-yl)oxycarbonylbenzoyl]amino]glutaric acid Formula: C21H19N5O7 MolecularWeight: 453.40486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=O)OC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=O)OC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C21H19N5O7/c22-17-13-9-12(5-6-14(13)25-21(23)26-17)33-20(32)11-3-1-10(2-4-11)18(29)24-15(19(30)31)7-8-16(27)28/h1-6,9,15H,7-8H2,(H,24,29)(H,27,28)(H,30,31)(H4,22,23,25,26)