6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one

Systemtic Name: 6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one Openeye Name: 6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one CAS Name: 6-[3-(1-imidazolyl)prop-1-ynyl]-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one IUPAC Name: 6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4H-quinazolin-2-one Traditional Name: 6-(3-imidazol-1-ylprop-1-ynyl)-3-(4-mesylbenzyl)-1-methyl-4H-quinazolin-2-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C=C2)C#CCN4C=CN=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C=C2)C#CCN4C=CN=C4

InChI

InChI=1S/C23H22N4O3S/c1-25-22-10-7-18(4-3-12-26-13-11-24-17-26)14-20(22)16-27(23(25)28)15-19-5-8-21(9-6-19)31(2,29)30/h5-11,13-14,17H,12,15-16H2,1-2H3