6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one

Systemtic Name: 6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Openeye Name: 6-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one CAS Name: 6-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-4-quinazolinone IUPAC Name: 6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-mesylbenzyl)-6-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]quinazolin-4-one Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=NC=CC(=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H21N3O4S/c1-32-24-15-19(12-13-26-24)5-3-4-18-8-11-23-22(14-18)25(29)28(17-27-23)16-20-6-9-21(10-7-20)33(2,30)31/h6-15,17H,5,16H2,1-2H3