[(2R,3R)-2-(6-benzamidopurin-9-yl)oxolan-3-yl] thiocyanate

Systemtic Name: [(2R,3R)-2-(6-benzamidopurin-9-yl)oxolan-3-yl] thiocyanate Openeye Name: [(2R,3R)-2-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl] thiocyanate CAS Name: thiocyanic acid [(2R,3R)-2-(6-benzamido-9-purinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R)-2-(6-benzamidopurin-9-yl)oxolan-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2R,3R)-2-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl] ester Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C1SC#N)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CO[C@H]([C@@H]1SC#N)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H14N6O2S/c18-8-26-12-6-7-25-17(12)23-10-21-13-14(19-9-20-15(13)23)22-16(24)11-4-2-1-3-5-11/h1-5,9-10,12,17H,6-7H2,(H,19,20,22,24)/t12-,17-/m1/s1