methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C26H30N3O6S+ MolecularWeight: 512.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C26H29N3O6S/c1-17(30)18-5-7-23(33-2)20(14-18)16-36-26-27-22-15-19(25(32)34-3)4-6-21(22)24(31)29(26)9-8-28-10-12-35-13-11-28/h4-7,14-15H,8-13,16H2,1-3H3/p+1