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O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate

O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate

Systemtic Name:O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
Openeye Name:O-[5-(6-thioxo-3H-purin-9-yl)pentyl] carbamothioate
CAS Name:carbamothioic acid O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ester
IUPAC Name:O-[5-(6-sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
Traditional Name:thiocarbamic acid O-[5-(6-thioxo-3H-purin-9-yl)pentyl] ester
Formula: C11H15N5OS2
MolecularWeight: 297.3997
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CCCCCOC(=S)N


Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CCCCCOC(=S)N


InChI

InChI=1S/C11H15N5OS2/c12-11(19)17-5-3-1-2-4-16-7-15-8-9(16)13-6-14-10(8)18/h6-7H,1-5H2,(H2,12,19)(H,13,14,18)


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