2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine dihydrochloride

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine dihydrochloride Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-7H-purine dihydrochloride CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-7H-purine dihydrochloride IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-7H-purine dihydrochloride Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-7H-purine dihydrochloride Formula: C18H22Cl2N6 MolecularWeight: 393.31348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=C4C(=N3)N=CN4.Cl.Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=NC=C4C(=N3)N=CN4.Cl.Cl

InChI

InChI=1S/C18H20N6.2ClH/c1-2-5-15(6-3-1)7-4-8-23-9-11-24(12-10-23)18-19-13-16-17(22-18)21-14-20-16;;/h1-7,13-14H,8-12H2,(H,19,20,21,22);2*1H/b7-4+;;