2-[4-[cyclohexyl-(4-cyclohexylpiperazin-1-yl)methyl]phenyl]sulfanylpyrimidine

Systemtic Name: 2-[4-[cyclohexyl-(4-cyclohexylpiperazin-1-yl)methyl]phenyl]sulfanylpyrimidine Openeye Name: 2-[4-[cyclohexyl-(4-cyclohexylpiperazin-1-yl)methyl]phenyl]sulfanylpyrimidine CAS Name: 2-[[4-[cyclohexyl-(4-cyclohexyl-1-piperazinyl)methyl]phenyl]thio]pyrimidine IUPAC Name: 2-[4-[cyclohexyl-(4-cyclohexylpiperazin-1-yl)methyl]phenyl]sulfanylpyrimidine Traditional Name: 2-[[4-[cyclohexyl-(4-cyclohexylpiperazino)methyl]phenyl]thio]pyrimidine Formula: C27H38N4S MolecularWeight: 450.68242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)SC3=NC=CC=N3)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)SC3=NC=CC=N3)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C27H38N4S/c1-3-8-22(9-4-1)26(31-20-18-30(19-21-31)24-10-5-2-6-11-24)23-12-14-25(15-13-23)32-27-28-16-7-17-29-27/h7,12-17,22,24,26H,1-6,8-11,18-21H2