methyl 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H15BrN4O3S MolecularWeight: 471.3271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=C(N3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=C(N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4O3S/c1-28-19(27)12-4-7-14-15(8-12)23-17(25-18(14)26)10-29-20-22-9-16(24-20)11-2-5-13(21)6-3-11/h2-9H,10H2,1H3,(H,22,24)(H,23,25,26)