methyl 2-[(2-methylphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-methylphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-2-(o-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-methylphenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-methylbenzyl)thio]-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4S/c1-17-5-3-4-6-19(17)16-32-24-25-21-15-18(23(29)30-2)7-8-20(21)22(28)27(24)10-9-26-11-13-31-14-12-26/h3-8,15H,9-14,16H2,1-2H3/p+1