3,7-dimethyl-1-nonyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-nonyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-nonyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-nonylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-1-nonylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-nonyl-xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C16H26N4O2/c1-4-5-6-7-8-9-10-11-20-15(21)13-14(17-12-18(13)2)19(3)16(20)22/h12H,4-11H2,1-3H3