methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C25H23FN4O2S/c1-16-20-23(30-14-12-29(13-15-30)19-10-8-18(26)9-11-19)27-22(17-6-4-3-5-7-17)28-24(20)33-21(16)25(31)32-2/h3-11H,12-15H2,1-2H3