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

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-2-one Formula: C26H24N2O3S MolecularWeight: 444.54536

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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#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-27-25-16-13-21(10-6-9-20-7-4-3-5-8-20)17-23(25)19-28(26(27)29)18-22-11-14-24(15-12-22)32(2,30)31/h3-5,7-8,11-17H,9,18-19H2,1-2H3