N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]propyl]-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C22H30FN5OS MolecularWeight: 431.569903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)SC

InChI

InChI=1S/C22H30FN5OS/c1-3-7-19-17(16-25-22(26-19)30-2)21(29)24-10-6-11-27-12-14-28(15-13-27)20-9-5-4-8-18(20)23/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,24,29)