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1-methyl-1-nitroso-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea

1-methyl-1-nitroso-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea

Systemtic Name:1-methyl-1-nitroso-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
Openeye Name:1-methyl-1-nitroso-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
CAS Name:1-methyl-1-nitroso-3-[2-(7H-purin-6-ylthio)ethyl]urea
IUPAC Name:1-methyl-1-nitroso-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
Traditional Name:1-methyl-1-nitroso-3-[2-(7H-purin-6-ylthio)ethyl]urea
Formula: C9H11N7O2S
MolecularWeight: 281.29434
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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NCCSC1=NC=NC2=C1NC=N2)N=O


Isomeric SMILES

CN(C(=O)NCCSC1=NC=NC2=C1NC=N2)N=O


InChI

InChI=1S/C9H11N7O2S/c1-16(15-18)9(17)10-2-3-19-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,10,17)(H,11,12,13,14)


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