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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.Cl.Cl

Isomeric SMILES

C=CC(C1=CC=CC=C1)N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.Cl.Cl

InChI

InChI=1S/C18H20N6.2ClH/c1-2-16(14-6-4-3-5-7-14)23-8-10-24(11-9-23)18-19-12-15-17(22-18)21-13-20-15;;/h2-7,12-13,16H,1,8-11H2,(H,19,20,21,22);2*1H