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

Systemtic Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1-ethyl-7-(4-hydroxybenzyl)-3-methyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-3-25-19(28)17-18(24(2)21(25)29)23-20(22-15-7-5-4-6-8-15)26(17)13-14-9-11-16(27)12-10-14/h9-12,15,27H,3-8,13H2,1-2H3,(H,22,23)