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

Systemtic Name: 2-[[4-[3-[2,4-bis(azanyl)quinazolin-6-yl]propanoyloxymethyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2,4-diaminoquinazolin-6-yl)propanoyloxymethyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[3-(2,4-diamino-6-quinazolinyl)-1-oxopropoxy]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2,4-diaminoquinazolin-6-yl)propanoyloxymethyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2,4-diaminoquinazolin-6-yl)propanoyloxymethyl]benzoyl]amino]glutaric acid Formula: C24H25N5O7 MolecularWeight: 495.4846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H25N5O7/c25-21-16-11-13(3-7-17(16)28-24(26)29-21)4-10-20(32)36-12-14-1-5-15(6-2-14)22(33)27-18(23(34)35)8-9-19(30)31/h1-3,5-7,11,18H,4,8-10,12H2,(H,27,33)(H,30,31)(H,34,35)(H4,25,26,28,29)