3-[2-(9-butylpurin-6-yl)sulfanylethyl]-1-methyl-1-nitroso-urea

Systemtic Name: 3-[2-(9-butylpurin-6-yl)sulfanylethyl]-1-methyl-1-nitroso-urea Openeye Name: 3-[2-(9-butylpurin-6-yl)sulfanylethyl]-1-methyl-1-nitroso-urea CAS Name: 3-[2-[(9-butyl-6-purinyl)thio]ethyl]-1-methyl-1-nitrosourea IUPAC Name: 3-[2-(9-butylpurin-6-yl)sulfanylethyl]-1-methyl-1-nitrosourea Traditional Name: 3-[2-[(9-butylpurin-6-yl)thio]ethyl]-1-methyl-1-nitroso-urea Formula: C13H19N7O2S MolecularWeight: 337.40066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN=C2SCCNC(=O)N(C)N=O

Isomeric SMILES

CCCCN1C=NC2=C1N=CN=C2SCCNC(=O)N(C)N=O

InChI

InChI=1S/C13H19N7O2S/c1-3-4-6-20-9-17-10-11(20)15-8-16-12(10)23-7-5-14-13(21)19(2)18-22/h8-9H,3-7H2,1-2H3,(H,14,21)