(2R)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]pentanedioic acid CAS Name: (2R)-2-[[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]pentanedioic acid Traditional Name: (2R)-2-[[4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoyl]amino]glutaric acid Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H20N4O6S/c1-10-2-7-13-16(19(29)25-21(22)24-13)17(10)32-12-5-3-11(4-6-12)18(28)23-14(20(30)31)8-9-15(26)27/h2-7,14H,8-9H2,1H3,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t14-/m1/s1