[3-[(2-azanylsulfanylpurin-9-yl)methoxy]-3-(hexylcarbamoyloxy)propyl] N-hexylcarbamate

Systemtic Name: [3-[(2-azanylsulfanylpurin-9-yl)methoxy]-3-(hexylcarbamoyloxy)propyl] N-hexylcarbamate Openeye Name: [3-[(2-aminosulfanylpurin-9-yl)methoxy]-3-(hexylcarbamoyloxy)propyl] N-hexylcarbamate CAS Name: N-hexylcarbamic acid [3-[[2-(aminothio)-9-purinyl]methoxy]-3-[(hexylamino)-oxomethoxy]propyl] ester IUPAC Name: [3-[(2-aminosulfanylpurin-9-yl)methoxy]-3-(hexylcarbamoyloxy)propyl] N-hexylcarbamate Traditional Name: N-hexylcarbamic acid [3-[[2-(aminothio)purin-9-yl]methoxy]-3-(hexylcarbamoyloxy)propyl] ester Formula: C23H39N7O5S MolecularWeight: 525.66466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)OCCC(OCN1C=NC2=CN=C(N=C21)SN)OC(=O)NCCCCCC

Isomeric SMILES

CCCCCCNC(=O)OCCC(OCN1C=NC2=CN=C(N=C21)SN)OC(=O)NCCCCCC

InChI

InChI=1S/C23H39N7O5S/c1-3-5-7-9-12-25-22(31)33-14-11-19(35-23(32)26-13-10-8-6-4-2)34-17-30-16-28-18-15-27-21(36-24)29-20(18)30/h15-16,19H,3-14,17,24H2,1-2H3,(H,25,31)(H,26,32)