7-ethyl-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C23H26N6O2 MolecularWeight: 418.49154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H26N6O2/c1-3-29-19-20(26(2)23(31)25-21(19)30)24-22(29)28-13-11-27(12-14-28)15-17-9-6-8-16-7-4-5-10-18(16)17/h4-10H,3,11-15H2,1-2H3,(H,25,30,31)