6-[(E)-2-piperidin-1-ylethenyl]-7H-purine

Systemtic Name: 6-[(E)-2-piperidin-1-ylethenyl]-7H-purine Openeye Name: 6-[(E)-2-(1-piperidyl)vinyl]-7H-purine CAS Name: 6-[(E)-2-(1-piperidinyl)ethenyl]-7H-purine IUPAC Name: 6-[(E)-2-piperidin-1-ylethenyl]-7H-purine Traditional Name: 6-[(E)-2-piperidinovinyl]-7H-purine Formula: C12H15N5 MolecularWeight: 229.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=CC2=C3C(=NC=N2)N=CN3

Isomeric SMILES

C1CCN(CC1)/C=C/C2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C12H15N5/c1-2-5-17(6-3-1)7-4-10-11-12(15-8-13-10)16-9-14-11/h4,7-9H,1-3,5-6H2,(H,13,14,15,16)/b7-4+