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

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(4-phenylbut-1-ynyl)-4H-quinazolin-2-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(4-phenylbut-1-ynyl)-4H-quinazolin-2-one CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(4-phenylbut-1-ynyl)-4H-quinazolin-2-one IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(4-phenylbut-1-ynyl)-4H-quinazolin-2-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-(4-phenylbut-1-ynyl)-4H-quinazolin-2-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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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#CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C=C2)C#CCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c1-28-26-17-14-22(11-7-6-10-21-8-4-3-5-9-21)18-24(26)20-29(27(28)30)19-23-12-15-25(16-13-23)33(2,31)32/h3-5,8-9,12-18H,6,10,19-20H2,1-2H3