8-(cyclohexylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(cyclohexylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(cyclohexylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(cyclohexylamino)-3,7-dimethyl-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NC3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H25N5O2/c1-23-16-17(22-19(23)21-15-11-7-4-8-12-15)24(2)20(27)25(18(16)26)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,21,22)