4-[[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrN4O4S/c1-11(2)9-24-19(27)15-8-14(21)5-6-16(15)23-20(24)30-10-13-4-3-12(18(22)26)7-17(13)25(28)29/h3-8,11H,9-10H2,1-2H3,(H2,22,26)