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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25N5O2/c1-10(2)9-21-12-13(20(3)16(23)19-14(12)22)18-15(21)17-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,17,18)(H,19,22,23)