2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-ethylazaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-ammonio]methyl]-7-carbomethoxy-quinazolin-4-olate Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

InChI

InChI=1S/C18H18BrN3O3S/c1-3-22(9-12-5-7-15(19)26-12)10-16-20-14-8-11(18(24)25-2)4-6-13(14)17(23)21-16/h4-8H,3,9-10H2,1-2H3,(H,20,21,23)