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

Systemtic Name: 2-[6-[(phenylmethyl)amino]purin-9-yl]-5-(propylsulfanylmethyl)oxolane-3,4-diol Openeye Name: 2-[6-(benzylamino)purin-9-yl]-5-(propylsulfanylmethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[(phenylmethyl)amino]-9-purinyl]-5-[(propylthio)methyl]oxolane-3,4-diol IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-5-(propylsulfanylmethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylamino)purin-9-yl]-5-[(propylthio)methyl]tetrahydrofuran-3,4-diol Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

Isomeric SMILES

CCCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

InChI

InChI=1S/C20H25N5O3S/c1-2-8-29-10-14-16(26)17(27)20(28-14)25-12-24-15-18(22-11-23-19(15)25)21-9-13-6-4-3-5-7-13/h3-7,11-12,14,16-17,20,26-27H,2,8-10H2,1H3,(H,21,22,23)