ethyl 3-[2,3-bis(bromanyl)propyl]-4-oxidanyl-2-sulfanylidene-1H-quinazoline-4-carboxylate

Systemtic Name: ethyl 3-[2,3-bis(bromanyl)propyl]-4-oxidanyl-2-sulfanylidene-1H-quinazoline-4-carboxylate Openeye Name: ethyl 3-(2,3-dibromopropyl)-4-hydroxy-2-thioxo-1H-quinazoline-4-carboxylate CAS Name: 3-(2,3-dibromopropyl)-4-hydroxy-2-sulfanylidene-1H-quinazoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dibromopropyl)-4-hydroxy-2-sulfanylidene-1H-quinazoline-4-carboxylate Traditional Name: 3-(2,3-dibromopropyl)-4-hydroxy-2-thioxo-1H-quinazoline-4-carboxylic acid ethyl ester Formula: C14H16Br2N2O3S MolecularWeight: 452.16144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2NC(=S)N1CC(CBr)Br)O

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2NC(=S)N1CC(CBr)Br)O

InChI

InChI=1S/C14H16Br2N2O3S/c1-2-21-12(19)14(20)10-5-3-4-6-11(10)17-13(22)18(14)8-9(16)7-15/h3-6,9,20H,2,7-8H2,1H3,(H,17,22)