2-[[4-[prop-2-ynyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[prop-2-ynyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[prop-2-ynyl-[(4-thioxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[prop-2-ynyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[prop-2-ynyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[propargyl-[(4-thioxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]glutaric acid Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC=NC2=S)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC=NC2=S)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H22N4O5S/c1-2-11-28(13-15-3-8-19-18(12-15)23(34)26-14-25-19)17-6-4-16(5-7-17)22(31)27-20(24(32)33)9-10-21(29)30/h1,3-8,12,14,20H,9-11,13H2,(H,27,31)(H,29,30)(H,32,33)(H,25,26,34)