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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-fluorobenzyl)-2,5-dimethyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4OS/c1-13-17-19(26-10-4-3-5-11-26)24-14(2)25-21(17)28-18(13)20(27)23-12-15-6-8-16(22)9-7-15/h6-9H,3-5,10-12H2,1-2H3,(H,23,27)