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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

Isomeric SMILES

CC(C)SCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4)O)O

InChI

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