[2-(6-benzamidopurin-9-yl)-1-(2-methylpropoxy)ethyl] thiocyanate

Systemtic Name: [2-(6-benzamidopurin-9-yl)-1-(2-methylpropoxy)ethyl] thiocyanate Openeye Name: [2-(6-benzamidopurin-9-yl)-1-isobutoxy-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(6-benzamido-9-purinyl)-1-(2-methylpropoxy)ethyl] ester IUPAC Name: [2-(6-benzamidopurin-9-yl)-1-(2-methylpropoxy)ethyl] thiocyanate Traditional Name: thiocyanic acid [2-(6-benzamidopurin-9-yl)-1-isobutoxy-ethyl] ester Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)SC#N

Isomeric SMILES

CC(C)COC(CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)SC#N

InChI

InChI=1S/C19H20N6O2S/c1-13(2)9-27-15(28-10-20)8-25-12-23-16-17(21-11-22-18(16)25)24-19(26)14-6-4-3-5-7-14/h3-7,11-13,15H,8-9H2,1-2H3,(H,21,22,24,26)