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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-isobutyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(4-hydroxybenzyl)-3-isobutyl-xanthine Formula: C24H33N5O3 MolecularWeight: 439.55052

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3/c1-4-27-22(31)20-21(29(24(27)32)14-16(2)3)26-23(25-18-8-6-5-7-9-18)28(20)15-17-10-12-19(30)13-11-17/h10-13,16,18,30H,4-9,14-15H2,1-3H3,(H,25,26)