8-(hexylamino)-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-(hexylamino)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-(hexylamino)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(hexylamino)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(hexylamino)-3-methyl-7-octyl-xanthine Formula: C20H35N5O2 MolecularWeight: 377.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H35N5O2/c1-4-6-8-10-11-13-15-25-16-17(24(3)20(27)23-18(16)26)22-19(25)21-14-12-9-7-5-2/h4-15H2,1-3H3,(H,21,22)(H,23,26,27)