8-octan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-octan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-methylheptyl)-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-octan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-octan-2-yl-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-methylheptyl)-1-propyl-7H-xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=NC2=C(N1)C(=O)N(C(=O)N2)CCC

Isomeric SMILES

CCCCCCC(C)C1=NC2=C(N1)C(=O)N(C(=O)N2)CCC

InChI

InChI=1S/C16H26N4O2/c1-4-6-7-8-9-11(3)13-17-12-14(18-13)19-16(22)20(10-5-2)15(12)21/h11H,4-10H2,1-3H3,(H,17,18)(H,19,22)