1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridyl)prop-1-ynyl]thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridinyl)prop-1-ynyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-[3-(3-pyridyl)prop-1-ynyl]thieno[2,3-d]pyrimidine-2,4-quinone Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(S2)C#CCC3=CN=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=C(S2)C#CCC3=CN=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H19N3O4S2/c1-25-22-20(13-18(31-22)7-3-5-16-6-4-12-24-14-16)21(27)26(23(25)28)15-17-8-10-19(11-9-17)32(2,29)30/h4,6,8-14H,5,15H2,1-2H3