[3-ethyl-6-(ethylamino)purin-8-yl]-phenyl-methanol; 5-oxabicyclo[2.1.1]hexane

Systemtic Name: [3-ethyl-6-(ethylamino)purin-8-yl]-phenyl-methanol; 5-oxabicyclo[2.1.1]hexane Openeye Name: [3-ethyl-6-(ethylamino)purin-8-yl]-phenyl-methanol; 5-oxabicyclo[2.1.1]hexane CAS Name: [3-ethyl-6-(ethylamino)-8-purinyl]-phenylmethanol; 5-oxabicyclo[2.1.1]hexane IUPAC Name: [3-ethyl-6-(ethylamino)purin-8-yl]-phenylmethanol; 5-oxabicyclo[2.1.1]hexane Traditional Name: [3-ethyl-6-(ethylamino)purin-8-yl]-phenyl-methanol; 5-oxabicyclo[2.1.1]hexane Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C3=CC=CC=C3)O)N(C=N1)CC.C1CC2CC1O2

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C3=CC=CC=C3)O)N(C=N1)CC.C1CC2CC1O2

InChI

InChI=1S/C16H19N5O.C5H8O/c1-3-17-14-12-16(21(4-2)10-18-14)20-15(19-12)13(22)11-8-6-5-7-9-11;1-2-5-3-4(1)6-5/h5-10,13,17,22H,3-4H2,1-2H3;4-5H,1-3H2