9-(2-ethoxyethyl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine

Systemtic Name: 9-(2-ethoxyethyl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-9-(2-ethoxyethyl)purine CAS Name: 9-(2-ethoxyethyl)-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-9-(2-ethoxyethyl)purine Traditional Name: 8-[(4-benzylpiperazino)methyl]-9-(2-ethoxyethyl)purine Formula: C21H28N6O MolecularWeight: 380.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=CN=CN=C21)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCN1C(=NC2=CN=CN=C21)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O/c1-2-28-13-12-27-20(24-19-14-22-17-23-21(19)27)16-26-10-8-25(9-11-26)15-18-6-4-3-5-7-18/h3-7,14,17H,2,8-13,15-16H2,1H3