2-[[5-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-1,3-thiazol-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-1,3-thiazol-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]thiazole-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-thiazolyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-1,3-thiazole-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-methyl-amino]thiazole-2-carbonyl]amino]glutaric acid Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CN=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CN=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H23N5O6S/c1-10-6-15-13(18(29)24-11(2)23-15)7-12(10)9-26(3)16-8-22-20(33-16)19(30)25-14(21(31)32)4-5-17(27)28/h6-8,14H,4-5,9H2,1-3H3,(H,25,30)(H,27,28)(H,31,32)(H,23,24,29)