1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-(3-phenylprop-2-ynyl)-4,5,7,8-tetrahydro-2H-pyrido[4,3-d]pyrimidine Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(CC2=C1CCN(C2)CC#CC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1CN(CC2=C1CCN(C2)CC#CC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H29N3O2S/c1-26-20-28(17-22-10-12-24(13-11-22)31(2,29)30)19-23-18-27(16-14-25(23)26)15-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-13H,14-20H2,1-2H3