8-(cyclohexylamino)-7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NC4CCCCC4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C24H33N5O4/c1-4-16-9-8-12-19(13-16)33-15-18(30)14-29-20-21(27(2)24(32)28(3)22(20)31)26-23(29)25-17-10-6-5-7-11-17/h8-9,12-13,17-18,30H,4-7,10-11,14-15H2,1-3H3,(H,25,26)/t18-/m0/s1