ethyl 4-[6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate CAS Name: 4-[6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-oxohexyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylate Traditional Name: 4-[6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27BrN4O4S MolecularWeight: 511.43248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C21H27BrN4O4S/c1-2-30-21(29)25-12-10-24(11-13-25)18(27)6-4-3-5-9-26-19(28)16-14-15(22)7-8-17(16)23-20(26)31/h7-8,14H,2-6,9-13H2,1H3,(H,23,31)