7-decyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-3-methylpurine-2,6-dione Traditional Name: 7-decyl-3-methyl-xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCN1C=NC2=C1C(=O)NC(=O)N2C

InChI

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