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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NC4CCCCC4)N(C1=O)CCO

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NC4CCCCC4)N(C1=O)CCO

InChI

InChI=1S/C22H29N5O3/c1-2-25-20(29)18-19(26(13-14-28)22(25)30)24-21(23-17-11-7-4-8-12-17)27(18)15-16-9-5-3-6-10-16/h3,5-6,9-10,17,28H,2,4,7-8,11-15H2,1H3,(H,23,24)