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

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-4-methyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]propyl]-4-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H26FN5OS MolecularWeight: 403.516743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C20H26FN5OS/c1-15-18(14-23-20(24-15)28-2)19(27)22-8-3-9-25-10-12-26(13-11-25)17-6-4-16(21)5-7-17/h4-7,14H,3,8-13H2,1-2H3,(H,22,27)