8-ethyl-7-methyl-1-(naphthalen-2-ylmethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-ethyl-7-methyl-1-(naphthalen-2-ylmethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-ethyl-7-methyl-1-(2-naphthylmethyl)-3-propyl-purine-2,6-dione CAS Name: 8-ethyl-7-methyl-1-(2-naphthalenylmethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-ethyl-7-methyl-1-(naphthalen-2-ylmethyl)-3-propylpurine-2,6-dione Traditional Name: 8-ethyl-7-methyl-1-(2-naphthylmethyl)-3-propyl-xanthine Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC4=CC=CC=C4C=C3)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC4=CC=CC=C4C=C3)N(C(=N2)CC)C

InChI

InChI=1S/C22H24N4O2/c1-4-12-25-20-19(24(3)18(5-2)23-20)21(27)26(22(25)28)14-15-10-11-16-8-6-7-9-17(16)13-15/h6-11,13H,4-5,12,14H2,1-3H3