2-[2-chloranyl-6-[(4-phenoxypiperidin-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-chloranyl-6-[(4-phenoxypiperidin-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(4-phenoxy-1-piperidyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-[(4-phenoxy-1-piperidinyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-[(4-phenoxypiperidin-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-[(4-phenoxypiperidino)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H25ClN6O5 MolecularWeight: 476.9134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)Cl

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)Cl

InChI

InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-6-13(7-9-27)32-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)