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

Systemtic Name: 1-methyl-1-nitroso-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea Openeye Name: 1-methyl-1-nitroso-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea CAS Name: 1-methyl-1-nitroso-3-[2-(5H-purin-6-ylthio)ethyl]urea IUPAC Name: 1-methyl-1-nitroso-3-[2-(5H-purin-6-ylsulfanyl)ethyl]urea Traditional Name: 1-methyl-1-nitroso-3-[2-(5H-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=NC=NC21)N=O

Isomeric SMILES

CN(C(=O)NCCSC1=NC=NC2=NC=NC21)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/h4-6H,2-3H2,1H3,(H,10,17)