3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-phenylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-phenylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-fluorobenzyl)-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H23FN4O2S/c1-17-21-23(27-16-30(24(21)31)15-18-6-5-7-19(26)14-18)33-22(17)25(32)29-12-10-28(11-13-29)20-8-3-2-4-9-20/h2-9,14,16H,10-13,15H2,1H3