2-[[4-[ethyl-[(4-methylsulfanylquinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[ethyl-[(4-methylsulfanylquinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[ethyl-[(4-methylsulfanylquinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[ethyl-[[4-(methylthio)-6-quinazolinyl]methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[ethyl-[(4-methylsulfanylquinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[ethyl-[[4-(methylthio)quinazolin-6-yl]methyl]amino]benzoyl]amino]glutaric acid Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)N=CN=C2SC)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)N=CN=C2SC)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H26N4O5S/c1-3-28(13-15-4-9-19-18(12-15)23(34-2)26-14-25-19)17-7-5-16(6-8-17)22(31)27-20(24(32)33)10-11-21(29)30/h4-9,12,14,20H,3,10-11,13H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)