1-methyl-3-[2-(7H-purin-8-ylsulfanyl)ethyl]urea

Systemtic Name: 1-methyl-3-[2-(7H-purin-8-ylsulfanyl)ethyl]urea Openeye Name: 1-methyl-3-[2-(7H-purin-8-ylsulfanyl)ethyl]urea CAS Name: 1-methyl-3-[2-(7H-purin-8-ylthio)ethyl]urea IUPAC Name: 1-methyl-3-[2-(7H-purin-8-ylsulfanyl)ethyl]urea Traditional Name: 1-methyl-3-[2-(7H-purin-8-ylthio)ethyl]urea Formula: C9H12N6OS MolecularWeight: 252.29618

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCCSC1=NC2=NC=NC=C2N1

Isomeric SMILES

CNC(=O)NCCSC1=NC2=NC=NC=C2N1

InChI

InChI=1S/C9H12N6OS/c1-10-8(16)12-2-3-17-9-14-6-4-11-5-13-7(6)15-9/h4-5H,2-3H2,1H3,(H2,10,12,16)(H,11,13,14,15)