8-(cyclohexylamino)-3-methyl-7-[(2R)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-3-methyl-7-[(2R)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-methyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C20H25N5O3/c1-24-17-16(18(27)23-20(24)28)25(12-15(26)13-8-4-2-5-9-13)19(22-17)21-14-10-6-3-7-11-14/h2,4-5,8-9,14-15,26H,3,6-7,10-12H2,1H3,(H,21,22)(H,23,27,28)/t15-/m0/s1