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

Systemtic Name: 2-[[5-[(2-methanoyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[(2-formyl-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[5-[(2-formyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[(2-formyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[(2-formyl-4-keto-1H-quinazolin-6-yl)methyl-methyl-amino]thiophene-2-carbonyl]amino]glutaric acid Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)NC(=NC2=O)C=O)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)NC(=NC2=O)C=O)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H20N4O7S/c1-25(9-11-2-3-13-12(8-11)19(29)24-16(10-26)22-13)17-6-5-15(33-17)20(30)23-14(21(31)32)4-7-18(27)28/h2-3,5-6,8,10,14H,4,7,9H2,1H3,(H,23,30)(H,27,28)(H,31,32)(H,22,24,29)