N-ethyl-3-[methoxy(phenyl)methyl]-8-prop-1-en-2-yl-purin-6-amine; 5-oxabicyclo[2.1.1]hexane

Systemtic Name: N-ethyl-3-[methoxy(phenyl)methyl]-8-prop-1-en-2-yl-purin-6-amine; 5-oxabicyclo[2.1.1]hexane Openeye Name: N-ethyl-8-isopropenyl-3-[methoxy(phenyl)methyl]purin-6-amine; 5-oxabicyclo[2.1.1]hexane CAS Name: N-ethyl-3-[methoxy(phenyl)methyl]-8-(1-methylethenyl)-6-purinamine; 5-oxabicyclo[2.1.1]hexane IUPAC Name: N-ethyl-3-[methoxy(phenyl)methyl]-8-prop-1-en-2-ylpurin-6-amine; 5-oxabicyclo[2.1.1]hexane Traditional Name: ethyl-[8-isopropenyl-3-[methoxy(phenyl)methyl]purin-6-yl]amine; 5-oxabicyclo[2.1.1]hexane Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O.C5H8O/c1-5-19-16-14-17(22-15(21-14)12(2)3)23(11-20-16)18(24-4)13-9-7-6-8-10-13;1-2-5-3-4(1)6-5/h6-11,18-19H,2,5H2,1,3-4H3;4-5H,1-3H2