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

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-4H-quinazolin-2-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-pyridyl)prop-1-ynyl]-4H-quinazolin-2-one CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-4H-quinazolin-2-one IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-4H-quinazolin-2-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-[3-(4-pyridyl)prop-1-ynyl]-4H-quinazolin-2-one Formula: C25H23N3O3S MolecularWeight: 445.53342

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-27-24-11-8-20(5-3-4-19-12-14-26-15-13-19)16-22(24)18-28(25(27)29)17-21-6-9-23(10-7-21)32(2,30)31/h6-16H,4,17-18H2,1-2H3