1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-2,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-2,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-2,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-2,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-2,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-(3-phenylprop-2-ynyl)-2,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1CCN(C2)CC#CC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1CN(C(=O)C2=C1CCN(C2)CC#CC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H27N3O3S/c1-26-19-28(17-21-10-12-22(13-11-21)32(2,30)31)25(29)23-18-27(16-14-24(23)26)15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13H,14-19H2,1-2H3