8-(cyclohexylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-m-anisyl-1,3-dimethyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C21H27N5O3/c1-24-18-17(19(27)25(2)21(24)28)26(13-14-8-7-11-16(12-14)29-3)20(23-18)22-15-9-5-4-6-10-15/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3,(H,22,23)