4-[[6-bromanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[[6-bromanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[6-bromo-4-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[6-bromo-4-oxo-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-3-quinazolinyl]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[6-bromo-4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[6-bromo-4-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Formula: C26H29BrN4O5S MolecularWeight: 589.50126

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC4CCCO4

Isomeric SMILES

COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC4CCCO4

InChI

InChI=1S/C26H29BrN4O5S/c1-35-12-10-28-24(33)18-6-4-17(5-7-18)15-31-25(34)21-13-19(27)8-9-22(21)30-26(31)37-16-23(32)29-14-20-3-2-11-36-20/h4-9,13,20H,2-3,10-12,14-16H2,1H3,(H,28,33)(H,29,32)