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

Systemtic Name: N-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C19H19BrN4O3S/c1-3-8-24-18(27)13-10-12(20)6-7-14(13)21-19(24)28-11-16(25)22-17(26)15-5-4-9-23(15)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,25,26)