1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-(propylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-8-(propylamino)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-naphthyloxy)propyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-naphthoxy)propyl]-1,3-dimethyl-8-(propylamino)xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC(COC3=CC4=CC=CC=C4C=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCNC1=NC2=C(N1CC(COC3=CC4=CC=CC=C4C=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H27N5O4/c1-4-11-24-22-25-20-19(21(30)27(3)23(31)26(20)2)28(22)13-17(29)14-32-18-10-9-15-7-5-6-8-16(15)12-18/h5-10,12,17,29H,4,11,13-14H2,1-3H3,(H,24,25)