1,3-dicyclohexyl-7-methyl-purine-2,6-dione

Systemtic Name: 1,3-dicyclohexyl-7-methyl-purine-2,6-dione Openeye Name: 1,3-dicyclohexyl-7-methyl-purine-2,6-dione CAS Name: 1,3-dicyclohexyl-7-methylpurine-2,6-dione IUPAC Name: 1,3-dicyclohexyl-7-methylpurine-2,6-dione Traditional Name: 1,3-dicyclohexyl-7-methyl-xanthine Formula: C18H26N4O2 MolecularWeight: 330.42464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C3CCCCC3)C4CCCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C18H26N4O2/c1-20-12-19-16-15(20)17(23)22(14-10-6-3-7-11-14)18(24)21(16)13-8-4-2-5-9-13/h12-14H,2-11H2,1H3