7-[2-(hexadecylamino)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(hexadecylamino)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(hexadecylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(cetylamino)ethyl]-1,3-dimethyl-xanthine Formula: C25H45N5O2 MolecularWeight: 447.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C25H45N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-30-21-27-23-22(30)24(31)29(3)25(32)28(23)2/h21,26H,4-20H2,1-3H3