8-(4-ethylpiperazin-1-yl)-3-methyl-7-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-7-[(2R)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-7-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-7-[(2R)-2-hydroxy-3-(2-naphthoxy)propyl]-3-methyl-xanthine Formula: C25H30N6O4 MolecularWeight: 478.5435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC5=CC=CC=C5C=C4)O)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2C[C@H](COC4=CC5=CC=CC=C5C=C4)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C25H30N6O4/c1-3-29-10-12-30(13-11-29)24-26-22-21(23(33)27-25(34)28(22)2)31(24)15-19(32)16-35-20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14,19,32H,3,10-13,15-16H2,1-2H3,(H,27,33,34)/t19-/m1/s1