9-(4-methylsulfonylphenyl)-6-morpholin-4-yl-purine-2-carbonitrile

Systemtic Name: 9-(4-methylsulfonylphenyl)-6-morpholin-4-yl-purine-2-carbonitrile Openeye Name: 9-(4-methylsulfonylphenyl)-6-morpholino-purine-2-carbonitrile CAS Name: 9-(4-methylsulfonylphenyl)-6-(4-morpholinyl)-2-purinecarbonitrile IUPAC Name: 9-(4-methylsulfonylphenyl)-6-morpholin-4-ylpurine-2-carbonitrile Traditional Name: 9-(4-mesylphenyl)-6-morpholino-purine-2-carbonitrile Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N4CCOCC4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3N4CCOCC4)C#N

InChI

InChI=1S/C17H16N6O3S/c1-27(24,25)13-4-2-12(3-5-13)23-11-19-15-16(22-6-8-26-9-7-22)20-14(10-18)21-17(15)23/h2-5,11H,6-9H2,1H3