methyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O5S/c1-22(2,3)18(26)14-31-21-23-17-13-15(20(28)29-4)5-6-16(17)19(27)25(21)8-7-24-9-11-30-12-10-24/h5-6,13H,7-12,14H2,1-4H3/p+1