1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-5-carboxylic acid

Systemtic Name: 1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-5-carboxylic acid Openeye Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-quinazoline-5-carboxylic acid CAS Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-5-quinazolinecarboxylic acid IUPAC Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazoline-5-carboxylic acid Traditional Name: 1-(4-bromobutyl)-2,4-diketo-3-p-anisyl-quinazoline-5-carboxylic acid Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC=C3N(C2=O)CCCCBr)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC=C3N(C2=O)CCCCBr)C(=O)O

InChI

InChI=1S/C21H21BrN2O5/c1-29-15-9-7-14(8-10-15)13-24-19(25)18-16(20(26)27)5-4-6-17(18)23(21(24)28)12-3-2-11-22/h4-10H,2-3,11-13H2,1H3,(H,26,27)