6-[(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H23BrN4O3S/c1-4-5-6-9-25-18(27)15-10-13(21)7-8-16(15)22-19(25)29-12-14-11-17(26)24(3)20(28)23(14)2/h7-8,10-11H,4-6,9,12H2,1-3H3