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

Systemtic Name: 7-butyl-8-(cyclohexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-(cyclohexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(cyclohexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-(cyclohexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(cyclohexylamino)-3-methyl-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25N5O2/c1-3-4-10-21-12-13(20(2)16(23)19-14(12)22)18-15(21)17-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,17,18)(H,19,22,23)