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

Systemtic Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-4-methyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[3-[4-(2,5-dimethylphenyl)piperazino]propyl]-4-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)C3=CN=C(N=C3C)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCNC(=O)C3=CN=C(N=C3C)SC

InChI

InChI=1S/C22H31N5OS/c1-16-6-7-17(2)20(14-16)27-12-10-26(11-13-27)9-5-8-23-21(28)19-15-24-22(29-4)25-18(19)3/h6-7,14-15H,5,8-13H2,1-4H3,(H,23,28)