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

Systemtic Name: 1-[2-(9-butylpurin-6-yl)sulfanylethyl]urea Openeye Name: 2-(9-butylpurin-6-yl)sulfanylethylurea CAS Name: 2-[(9-butyl-6-purinyl)thio]ethylurea IUPAC Name: 2-(9-butylpurin-6-yl)sulfanylethylurea Traditional Name: 2-[(9-butylpurin-6-yl)thio]ethylurea Formula: C12H18N6OS MolecularWeight: 294.37592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6OS/c1-2-3-5-18-8-17-9-10(18)15-7-16-11(9)20-6-4-14-12(13)19/h7-8H,2-6H2,1H3,(H3,13,14,19)