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

Systemtic Name: 8-(cyclohexylamino)-3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-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)NC3CCCCC3)CC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C25H29N5O4/c1-29-22-21(23(32)28-25(29)33)30(24(27-22)26-18-9-3-2-4-10-18)14-19(31)15-34-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,31H,2-4,9-10,14-15H2,1H3,(H,26,27)(H,28,32,33)