8-(azepan-1-yl)-3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[2-hydroxy-3-(2-naphthoxy)propyl]-3-methyl-xanthine Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C25H29N5O4/c1-28-22-21(23(32)27-25(28)33)30(24(26-22)29-12-6-2-3-7-13-29)15-19(31)16-34-20-11-10-17-8-4-5-9-18(17)14-20/h4-5,8-11,14,19,31H,2-3,6-7,12-13,15-16H2,1H3,(H,27,32,33)