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

Systemtic Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C25H30N6O3 MolecularWeight: 462.5441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H30N6O3/c1-3-34-16-15-31-21-22(28(2)25(33)27-23(21)32)26-24(31)30-13-11-29(12-14-30)17-19-9-6-8-18-7-4-5-10-20(18)19/h4-10H,3,11-17H2,1-2H3,(H,27,32,33)