[6-azanyl-2-(2-butoxycarbonyloxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] butyl carbonate

Systemtic Name: [6-azanyl-2-(2-butoxycarbonyloxyethylsulfanyl)-9-(phenylmethyl)purin-8-yl] butyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-butoxycarbonyloxyethylsulfanyl)purin-8-yl] butyl carbonate CAS Name: carbonic acid [6-amino-2-[2-[butoxy(oxo)methoxy]ethylthio]-9-(phenylmethyl)-8-purinyl] butyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-butoxycarbonyloxyethylsulfanyl)purin-8-yl] butyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-butoxycarbonyloxyethylthio)purin-8-yl] butyl ester Formula: C24H31N5O6S MolecularWeight: 517.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)OC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)OCCSC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)OC(=O)OCCCC

InChI

InChI=1S/C24H31N5O6S/c1-3-5-12-32-23(30)34-14-15-36-21-27-19(25)18-20(28-21)29(16-17-10-8-7-9-11-17)22(26-18)35-24(31)33-13-6-4-2/h7-11H,3-6,12-16H2,1-2H3,(H2,25,27,28)