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

Systemtic Name: 2-(methylsulfanylmethyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-(benzylamino)purin-9-yl]-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[(methylthio)methyl]-5-[6-[(phenylmethyl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylamino)purin-9-yl]-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

Isomeric SMILES

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C18H21N5O3S/c1-27-8-12-14(24)15(25)18(26-12)23-10-22-13-16(20-9-21-17(13)23)19-7-11-5-3-2-4-6-11/h2-6,9-10,12,14-15,18,24-25H,7-8H2,1H3,(H,19,20,21)