5-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 5-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanyl-pyrimidine Openeye Name: 5-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]methyl]-2-methylsulfanyl-pyrimidine CAS Name: 5-[[3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]methyl]-2-(methylthio)pyrimidine IUPAC Name: 5-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanylpyrimidine Traditional Name: 5-[[3-[4-(4-methoxyphenyl)piperazino]piperidino]methyl]-2-(methylthio)pyrimidine Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)CC4=CN=C(N=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)CC4=CN=C(N=C4)SC

InChI

InChI=1S/C22H31N5OS/c1-28-21-7-5-19(6-8-21)26-10-12-27(13-11-26)20-4-3-9-25(17-20)16-18-14-23-22(29-2)24-15-18/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3