7-(2-methoxyethyl)-3-(2-methylpropyl)-8-naphthalen-2-yl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-naphthalen-2-yl-purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(2-naphthyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(2-naphthalenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-naphthalen-2-ylpurine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(2-naphthyl)xanthine Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCOC

InChI

InChI=1S/C22H24N4O3/c1-14(2)13-26-20-18(21(27)24-22(26)28)25(10-11-29-3)19(23-20)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,27,28)