2-(ethylsulfanylmethyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(ethylsulfanylmethyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-(benzylamino)purin-9-yl]-5-(ethylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[(ethylthio)methyl]-5-[6-[(phenylmethyl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-5-(ethylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylamino)purin-9-yl]-5-[(ethylthio)methyl]tetrahydrofuran-3,4-diol Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

Isomeric SMILES

CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C19H23N5O3S/c1-2-28-9-13-15(25)16(26)19(27-13)24-11-23-14-17(21-10-22-18(14)24)20-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,25-26H,2,8-9H2,1H3,(H,20,21,22)