N-[2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H23BrN4O3S/c1-3-4-5-11-26-20(29)15-12-14(22)8-9-16(15)23-21(26)30-13-18(27)24-19(28)17-7-6-10-25(17)2/h6-10,12H,3-5,11,13H2,1-2H3,(H,24,27,28)