3-[[4-[[2,4-bis(azanyl)quinazolin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 3-[[4-[[2,4-bis(azanyl)quinazolin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 3-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 3-[[[4-[(2,4-diamino-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 3-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 3-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(=O)O)CC(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC(=O)O)CC(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C21H22N6O5/c22-19-15-7-11(1-6-16(15)26-21(23)27-19)10-24-13-4-2-12(3-5-13)20(32)25-14(8-17(28)29)9-18(30)31/h1-7,14,24H,8-10H2,(H,25,32)(H,28,29)(H,30,31)(H4,22,23,26,27)