8-(cyclohexylamino)-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-heptyl-3-methyl-xanthine Formula: C19H31N5O2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H31N5O2/c1-3-4-5-6-10-13-24-15-16(23(2)19(26)22-17(15)25)21-18(24)20-14-11-8-7-9-12-14/h14H,3-13H2,1-2H3,(H,20,21)(H,22,25,26)