ethyl 6-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C18H19BrN4O4S/c1-3-23-15(24)11-7-10(19)5-6-13(11)22-18(23)28-9-14-12(16(25)27-4-2)8-20-17(26)21-14/h5-7H,3-4,8-9H2,1-2H3,(H2,20,21,26)