methyl 1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-carboxylate

Systemtic Name: methyl 1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-carboxylate Openeye Name: methyl 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-quinazoline-6-carboxylate CAS Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-6-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazoline-6-carboxylate Traditional Name: 1-(4-bromobutyl)-2,4-diketo-3-p-anisyl-quinazoline-6-carboxylic acid methyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O5/c1-29-17-8-5-15(6-9-17)14-25-20(26)18-13-16(21(27)30-2)7-10-19(18)24(22(25)28)12-4-3-11-23/h5-10,13H,3-4,11-12,14H2,1-2H3