8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-3-(2-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(4-hydroxybenzyl)-3-(2-hydroxyethyl)xanthine Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-2-25-20(30)18-19(26(12-13-28)22(25)31)24-21(23-16-6-4-3-5-7-16)27(18)14-15-8-10-17(29)11-9-15/h8-11,16,28-29H,2-7,12-14H2,1H3,(H,23,24)