1-phenyl-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea

Systemtic Name: 1-phenyl-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea Openeye Name: 1-phenyl-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea CAS Name: 1-phenyl-3-[2-(5H-purin-6-ylthio)ethyl]urea IUPAC Name: 1-phenyl-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea Traditional Name: 1-phenyl-3-[2-(5H-purin-6-ylthio)ethyl]urea Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCSC2=NC=NC3=NC=NC32

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCSC2=NC=NC3=NC=NC32

InChI

InChI=1S/C14H14N6OS/c21-14(20-10-4-2-1-3-5-10)15-6-7-22-13-11-12(17-8-16-11)18-9-19-13/h1-5,8-9,11H,6-7H2,(H2,15,20,21)