7-methoxycarbonyl-2-[[(5-methylthiophen-2-yl)methyl-phenethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-2-[[(5-methylthiophen-2-yl)methyl-phenethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-2-[[(5-methyl-2-thienyl)methyl-phenethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-methoxycarbonyl-2-[[(5-methyl-2-thiophenyl)methyl-phenethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-2-[[(5-methylthiophen-2-yl)methyl-phenethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[(5-methyl-2-thienyl)methyl-phenethyl-ammonio]methyl]quinazolin-4-olate Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

InChI

InChI=1S/C25H25N3O3S/c1-17-8-10-20(32-17)15-28(13-12-18-6-4-3-5-7-18)16-23-26-22-14-19(25(30)31-2)9-11-21(22)24(29)27-23/h3-11,14H,12-13,15-16H2,1-2H3,(H,26,27,29)