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

Systemtic Name: 2-[[5-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-ethyl-amino]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-ethyl-amino]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-ethylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-ethylamino]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[ethyl-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]glutaric acid Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=C2C(=C1)C(=O)N=C(N2)C)C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=C2C(=C1)C(=O)N=C(N2)C)C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H26N4O6S/c1-4-27(11-14-10-15-17(9-12(14)2)24-13(3)25-21(15)30)19-7-6-18(34-19)22(31)26-16(23(32)33)5-8-20(28)29/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H,26,31)(H,28,29)(H,32,33)(H,24,25,30)