1-hexyl-3-propan-2-yl-1-[5-(7H-purin-8-ylsulfanyl)pentyl]urea

Systemtic Name: 1-hexyl-3-propan-2-yl-1-[5-(7H-purin-8-ylsulfanyl)pentyl]urea Openeye Name: 1-hexyl-3-isopropyl-1-[5-(7H-purin-8-ylsulfanyl)pentyl]urea CAS Name: 1-hexyl-3-propan-2-yl-1-[5-(7H-purin-8-ylthio)pentyl]urea IUPAC Name: 1-hexyl-3-propan-2-yl-1-[5-(7H-purin-8-ylsulfanyl)pentyl]urea Traditional Name: 1-hexyl-3-isopropyl-1-[5-(7H-purin-8-ylthio)pentyl]urea Formula: C20H34N6OS MolecularWeight: 406.58856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCSC1=NC2=NC=NC=C2N1)C(=O)NC(C)C

Isomeric SMILES

CCCCCCN(CCCCCSC1=NC2=NC=NC=C2N1)C(=O)NC(C)C

InChI

InChI=1S/C20H34N6OS/c1-4-5-6-8-11-26(20(27)23-16(2)3)12-9-7-10-13-28-19-24-17-14-21-15-22-18(17)25-19/h14-16H,4-13H2,1-3H3,(H,23,27)(H,21,22,24,25)