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

Systemtic Name: N-[2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxamide CAS Name: N-[2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-1-oxoethyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]acetyl]-1H-pyrrole-2-carboxamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)C3=CC=CN3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)C3=CC=CN3

InChI

InChI=1S/C20H21BrN4O3S/c1-2-3-4-10-25-19(28)14-11-13(21)7-8-15(14)23-20(25)29-12-17(26)24-18(27)16-6-5-9-22-16/h5-9,11,22H,2-4,10,12H2,1H3,(H,24,26,27)