9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-amine

Systemtic Name: 9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-amine Openeye Name: 9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-amine CAS Name: 9-[(E)-hept-4-enyl]-2-phenethyloxy-6-purinamine IUPAC Name: 9-[(E)-hept-4-enyl]-2-phenethyloxypurin-6-amine Traditional Name: [9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-yl]amine Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C=NC2=C1N=C(N=C2N)OCCC3=CC=CC=C3

Isomeric SMILES

CC/C=C/CCCN1C=NC2=C1N=C(N=C2N)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O/c1-2-3-4-5-9-13-25-15-22-17-18(21)23-20(24-19(17)25)26-14-12-16-10-7-6-8-11-16/h3-4,6-8,10-11,15H,2,5,9,12-14H2,1H3,(H2,21,23,24)/b4-3+