methyl 2-[2-(4-bromanylphenoxy)ethylsulfanyl]-3-(2-hydroxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanylphenoxy)ethylsulfanyl]-3-(2-hydroxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-bromophenoxy)ethylsulfanyl]-3-(2-hydroxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[2-(4-bromophenoxy)ethylthio]-3-(2-hydroxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromophenoxy)ethylsulfanyl]-3-(2-hydroxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[2-(4-bromophenoxy)ethylthio]-3-(2-hydroxyethyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCOC3=CC=C(C=C3)Br)CCO

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCOC3=CC=C(C=C3)Br)CCO

InChI

InChI=1S/C20H19BrN2O5S/c1-27-19(26)13-2-7-16-17(12-13)22-20(23(8-9-24)18(16)25)29-11-10-28-15-5-3-14(21)4-6-15/h2-7,12,24H,8-11H2,1H3