2-[[3-(6-methylheptan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[[3-(6-methylheptan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[[3-(1,5-dimethylhexyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[[[3-(6-methylheptan-2-yl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[[3-(6-methylheptan-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[[[3-(1,5-dimethylhexyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C26H28N4O4S/c1-15(2)7-6-8-16(3)30-24(32)19-9-4-5-10-20(19)28-26(30)35-14-22-27-21-13-17(25(33)34)11-12-18(21)23(31)29-22/h4-5,9-13,15-16H,6-8,14H2,1-3H3,(H,33,34)(H,27,29,31)