S-(7H-purin-6-yl) N-cyclohexylcarbamothioate

Systemtic Name: S-(7H-purin-6-yl) N-cyclohexylcarbamothioate Openeye Name: S-(7H-purin-6-yl) N-cyclohexylcarbamothioate CAS Name: N-cyclohexylcarbamothioic acid S-(7H-purin-6-yl) ester IUPAC Name: S-(7H-purin-6-yl) N-cyclohexylcarbamothioate Traditional Name: N-cyclohexylthiocarbamic acid S-(7H-purin-6-yl) ester Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H15N5OS/c18-12(17-8-4-2-1-3-5-8)19-11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5H2,(H,17,18)(H,13,14,15,16)