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

Systemtic Name: 7-(2-methoxyethyl)-8-naphthalen-2-yl-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(2-naphthyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(2-naphthalenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-naphthalen-2-yl-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(2-naphthyl)-3-propyl-xanthine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=CC=CC=C4C=C3)CCOC

InChI

InChI=1S/C21H22N4O3/c1-3-10-25-19-17(20(26)23-21(25)27)24(11-12-28-2)18(22-19)16-9-8-14-6-4-5-7-15(14)13-16/h4-9,13H,3,10-12H2,1-2H3,(H,23,26,27)