(2R,3S,5R)-5-(6-azanyl-8-phenyl-2-piperidin-1-yl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3S,5R)-5-(6-azanyl-8-phenyl-2-piperidin-1-yl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3S,5R)-5-[6-amino-8-phenyl-2-(1-piperidyl)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S,5R)-5-[6-amino-8-phenyl-2-(1-piperidinyl)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3S,5R)-5-(6-amino-8-phenyl-2-piperidin-1-ylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3S,5R)-5-(6-amino-8-phenyl-2-piperidino-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C(=N2)N)N=C(N3C4CC(C(O4)CO)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C(=N2)N)N=C(N3[C@H]4C[C@@H]([C@H](O4)CO)O)C5=CC=CC=C5

InChI

InChI=1S/C21H26N6O3/c22-18-17-20(25-21(24-18)26-9-5-2-6-10-26)27(16-11-14(29)15(12-28)30-16)19(23-17)13-7-3-1-4-8-13/h1,3-4,7-8,14-16,28-29H,2,5-6,9-12H2,(H2,22,24,25)/t14-,15+,16+/m0/s1