phenacyl 2-[1-(4-bromanylbutyl)-8-methoxy-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-propanoate

Systemtic Name: phenacyl 2-[1-(4-bromanylbutyl)-8-methoxy-2,4-bis(oxidanylidene)quinazolin-3-yl]-2-methyl-propanoate Openeye Name: phenacyl 2-[1-(4-bromobutyl)-8-methoxy-2,4-dioxo-quinazolin-3-yl]-2-methyl-propanoate CAS Name: 2-[1-(4-bromobutyl)-8-methoxy-2,4-dioxo-3-quinazolinyl]-2-methylpropanoic acid phenacyl ester IUPAC Name: phenacyl 2-[1-(4-bromobutyl)-8-methoxy-2,4-dioxoquinazolin-3-yl]-2-methylpropanoate Traditional Name: 2-[1-(4-bromobutyl)-2,4-diketo-8-methoxy-quinazolin-3-yl]-2-methyl-propionic acid phenacyl ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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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(=CC=C3)OC)N(C2=O)CCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O6/c1-25(2,23(31)34-16-19(29)17-10-5-4-6-11-17)28-22(30)18-12-9-13-20(33-3)21(18)27(24(28)32)15-8-7-14-26/h4-6,9-13H,7-8,14-16H2,1-3H3