3-[[9-ethyl-2-[[(2R)-oxolan-2-yl]methylamino]purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[9-ethyl-2-[[(2R)-oxolan-2-yl]methylamino]purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-[[(2R)-2-oxolanyl]methylamino]-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-[[(2R)-oxolan-2-yl]methylamino]purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]purin-6-yl]amino]benzonitrile Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NCC4CCCO4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NC[C@H]4CCCO4

InChI

InChI=1S/C19H21N7O/c1-2-26-12-22-16-17(23-14-6-3-5-13(9-14)10-20)24-19(25-18(16)26)21-11-15-7-4-8-27-15/h3,5-6,9,12,15H,2,4,7-8,11H2,1H3,(H2,21,23,24,25)/t15-/m1/s1