9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione

Systemtic Name: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione Openeye Name: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione CAS Name: 9-[5-[phenoxy(sulfanylidene)methoxy]pentyl]-3H-purine-6-thione IUPAC Name: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione Traditional Name: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=S)OCCCCCN2C=NC3=C2NC=NC3=S

Isomeric SMILES

C1=CC=C(C=C1)OC(=S)OCCCCCN2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C17H18N4O2S2/c24-16-14-15(18-11-19-16)21(12-20-14)9-5-2-6-10-22-17(25)23-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,18,19,24)