1-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]-1-heptyl-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea

Systemtic Name: 1-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]-1-heptyl-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea Openeye Name: 1-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]-1-heptyl-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea CAS Name: 1-[2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1-piperazinyl]ethyl]-1-heptyl-3-[2-methyl-4,6-bis(methylthio)-5-pyrimidinyl]urea IUPAC Name: 1-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]-1-heptyl-3-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]urea Traditional Name: 1-[2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]piperazino]ethyl]-1-heptyl-3-[2-methyl-4,6-bis(methylthio)pyrimidin-5-yl]urea Formula: C31H47N7O2S3 MolecularWeight: 645.94558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCN1CCN(CC1)CCCSC2=NC3=CC=CC=C3O2)C(=O)NC4=C(N=C(N=C4SC)C)SC

Isomeric SMILES

CCCCCCCN(CCN1CCN(CC1)CCCSC2=NC3=CC=CC=C3O2)C(=O)NC4=C(N=C(N=C4SC)C)SC

InChI

InChI=1S/C31H47N7O2S3/c1-5-6-7-8-11-16-38(30(39)35-27-28(41-3)32-24(2)33-29(27)42-4)22-21-37-19-17-36(18-20-37)15-12-23-43-31-34-25-13-9-10-14-26(25)40-31/h9-10,13-14H,5-8,11-12,15-23H2,1-4H3,(H,35,39)