9-[5-(methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amine

Systemtic Name: 9-[5-(methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amine Openeye Name: 9-[3,4-dibenzyloxy-5-(methylsulfanylmethyl)tetrahydrofuran-2-yl]purin-6-amine CAS Name: 9-[5-[(methylthio)methyl]-3,4-bis(phenylmethoxy)-2-oxolanyl]-6-purinamine IUPAC Name: 9-[5-(methylsulfanylmethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]purin-6-amine Traditional Name: [9-[3,4-dibenzoxy-5-[(methylthio)methyl]tetrahydrofuran-2-yl]purin-6-yl]amine Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O3S/c1-34-14-19-21(31-12-17-8-4-2-5-9-17)22(32-13-18-10-6-3-7-11-18)25(33-19)30-16-29-20-23(26)27-15-28-24(20)30/h2-11,15-16,19,21-22,25H,12-14H2,1H3,(H2,26,27,28)