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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-hydroxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-hydroxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-hydroxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(3-hydroxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(3-hydroxybenzyl)-3-propyl-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C23H31N5O3/c1-3-13-27-20-19(21(30)26(4-2)23(27)31)28(15-16-9-8-12-18(29)14-16)22(25-20)24-17-10-6-5-7-11-17/h8-9,12,14,17,29H,3-7,10-11,13,15H2,1-2H3,(H,24,25)