1,3-dimethyl-7-(5-phenylpentyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(5-phenylpentyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(5-phenylpentyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(5-phenylpentyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(5-phenylpentyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(5-phenylpentyl)xanthine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c1-20-16-15(17(23)21(2)18(20)24)22(13-19-16)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3