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9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine

9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name:9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine
Openeye Name:9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine
CAS Name:9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine
IUPAC Name:9-[(E)-hept-4-enyl]-2-N-(3-phenylpropyl)purine-2,6-diamine
Traditional Name:[6-amino-9-[(E)-hept-4-enyl]purin-2-yl]-(3-phenylpropyl)amine
Formula: C21H28N6
MolecularWeight: 364.48722
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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C=NC2=C1N=C(N=C2N)NCCCC3=CC=CC=C3


Isomeric SMILES

CC/C=C/CCCN1C=NC2=C1N=C(N=C2N)NCCCC3=CC=CC=C3


InChI

InChI=1S/C21H28N6/c1-2-3-4-5-9-15-27-16-24-18-19(22)25-21(26-20(18)27)23-14-10-13-17-11-7-6-8-12-17/h3-4,6-8,11-12,16H,2,5,9-10,13-15H2,1H3,(H3,22,23,25,26)/b4-3+


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