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

Systemtic Name: 2-[[4-[2,4-bis(azanyl)quinazolin-6-yl]sulfanylphenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-quinazolinyl)thio]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(2,4-diaminoquinazolin-6-yl)sulfanylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2,4-diaminoquinazolin-6-yl)thio]benzoyl]amino]glutaric acid Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C20H19N5O5S/c21-17-13-9-12(5-6-14(13)24-20(22)25-17)31-11-3-1-10(2-4-11)18(28)23-15(19(29)30)7-8-16(26)27/h1-6,9,15H,7-8H2,(H,23,28)(H,26,27)(H,29,30)(H4,21,22,24,25)