methyl 2-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[1-(4-mesylphenyl)ethyl-methyl-amino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-13(14-5-8-16(9-6-14)30(4,27)28)24(2)12-19-22-18-11-15(21(26)29-3)7-10-17(18)20(25)23-19/h5-11,13H,12H2,1-4H3,(H,22,23,25)