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

Systemtic Name: 8-(cyclohexylamino)-7-[(3-hydroxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(3-hydroxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(3-hydroxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(3-hydroxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(3-hydroxybenzyl)-1,3-dimethyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-23-17-16(18(27)24(2)20(23)28)25(12-13-7-6-10-15(26)11-13)19(22-17)21-14-8-4-3-5-9-14/h6-7,10-11,14,26H,3-5,8-9,12H2,1-2H3,(H,21,22)