phenacyl 2-[1-(4-bromanylbutyl)-7-chloranyl-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-propanoate

Systemtic Name: phenacyl 2-[1-(4-bromanylbutyl)-7-chloranyl-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-propanoate Openeye Name: phenacyl 2-[1-(4-bromobutyl)-7-chloro-2,4-dioxo-quinazolin-3-yl]-2-methyl-propanoate CAS Name: 2-[1-(4-bromobutyl)-7-chloro-2,4-dioxo-3-quinazolinyl]-2-methylpropanoic acid phenacyl ester IUPAC Name: phenacyl 2-[1-(4-bromobutyl)-7-chloro-2,4-dioxoquinazolin-3-yl]-2-methylpropanoate Traditional Name: 2-[1-(4-bromobutyl)-7-chloro-2,4-diketo-quinazolin-3-yl]-2-methyl-propionic acid phenacyl ester Formula: C24H24BrClN2O5 MolecularWeight: 535.81476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N(C2=O)CCCCBr

Isomeric SMILES

CC(C)(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N(C2=O)CCCCBr

InChI

InChI=1S/C24H24BrClN2O5/c1-24(2,22(31)33-15-20(29)16-8-4-3-5-9-16)28-21(30)18-11-10-17(26)14-19(18)27(23(28)32)13-7-6-12-25/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3