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

Systemtic Name: 1-[2-(9-butylpurin-6-yl)sulfanylethyl]-3-methyl-urea Openeye Name: 1-[2-(9-butylpurin-6-yl)sulfanylethyl]-3-methyl-urea CAS Name: 1-[2-[(9-butyl-6-purinyl)thio]ethyl]-3-methylurea IUPAC Name: 1-[2-(9-butylpurin-6-yl)sulfanylethyl]-3-methylurea Traditional Name: 1-[2-[(9-butylpurin-6-yl)thio]ethyl]-3-methyl-urea Formula: C13H20N6OS MolecularWeight: 308.4025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N6OS/c1-3-4-6-19-9-18-10-11(19)16-8-17-12(10)21-7-5-15-13(20)14-2/h8-9H,3-7H2,1-2H3,(H2,14,15,20)