[(2S,3R)-3-(6-benzamido-4,5-dihydropurin-9-yl)oxolan-2-yl] thiocyanate

Systemtic Name: [(2S,3R)-3-(6-benzamido-4,5-dihydropurin-9-yl)oxolan-2-yl] thiocyanate Openeye Name: [(2S,3R)-3-(6-benzamido-4,5-dihydropurin-9-yl)tetrahydrofuran-2-yl] thiocyanate CAS Name: thiocyanic acid [(2S,3R)-3-(6-benzamido-4,5-dihydropurin-9-yl)-2-oxolanyl] ester IUPAC Name: [(2S,3R)-3-(6-benzamido-4,5-dihydropurin-9-yl)oxolan-2-yl] thiocyanate Traditional Name: thiocyanic acid [(2S,3R)-3-(6-benzamido-4,5-dihydropurin-9-yl)tetrahydrofuran-2-yl] ester Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C1N2C=NC3C2N=CN=C3NC(=O)C4=CC=CC=C4)SC#N

Isomeric SMILES

C1CO[C@H]([C@@H]1N2C=NC3C2N=CN=C3NC(=O)C4=CC=CC=C4)SC#N

InChI

InChI=1S/C17H16N6O2S/c18-8-26-17-12(6-7-25-17)23-10-21-13-14(19-9-20-15(13)23)22-16(24)11-4-2-1-3-5-11/h1-5,9-10,12-13,15,17H,6-7H2,(H,19,20,22,24)/t12-,13?,15?,17+/m1/s1