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

Systemtic Name: 1-[2-(9-heptylpurin-6-yl)sulfanylethyl]urea Openeye Name: 2-(9-heptylpurin-6-yl)sulfanylethylurea CAS Name: 2-[(9-heptyl-6-purinyl)thio]ethylurea IUPAC Name: 2-(9-heptylpurin-6-yl)sulfanylethylurea Traditional Name: 2-[(9-heptylpurin-6-yl)thio]ethylurea Formula: C15H24N6OS MolecularWeight: 336.45566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C1N=CN=C2SCCNC(=O)N

Isomeric SMILES

CCCCCCCN1C=NC2=C1N=CN=C2SCCNC(=O)N

InChI

InChI=1S/C15H24N6OS/c1-2-3-4-5-6-8-21-11-20-12-13(21)18-10-19-14(12)23-9-7-17-15(16)22/h10-11H,2-9H2,1H3,(H3,16,17,22)