9-[(E)-hept-4-enyl]-8-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 9-[(E)-hept-4-enyl]-8-(phenylmethyl)purine-2,6-diamine Openeye Name: 8-benzyl-9-[(E)-hept-4-enyl]purine-2,6-diamine CAS Name: 9-[(E)-hept-4-enyl]-8-(phenylmethyl)purine-2,6-diamine IUPAC Name: 8-benzyl-9-[(E)-hept-4-enyl]purine-2,6-diamine Traditional Name: [2-amino-8-benzyl-9-[(E)-hept-4-enyl]purin-6-yl]amine Formula: C19H24N6 MolecularWeight: 336.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C(=NC2=C1N=C(N=C2N)N)CC3=CC=CC=C3

Isomeric SMILES

CC/C=C/CCCN1C(=NC2=C1N=C(N=C2N)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N6/c1-2-3-4-5-9-12-25-15(13-14-10-7-6-8-11-14)22-16-17(20)23-19(21)24-18(16)25/h3-4,6-8,10-11H,2,5,9,12-13H2,1H3,(H4,20,21,23,24)/b4-3+