N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-N-sec-butyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butan-2-yl-4-[4-(2-fluorophenyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-5-methyl-N-sec-butyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26FN5OS MolecularWeight: 427.538143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4F)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H26FN5OS/c1-4-14(2)26-21(29)19-15(3)18-20(24-13-25-22(18)30-19)28-11-9-27(10-12-28)17-8-6-5-7-16(17)23/h5-8,13-14H,4,9-12H2,1-3H3,(H,26,29)