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

Systemtic Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-hydroxyphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-hydroxyphenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-hydroxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-diethyl-7-[(3-hydroxyphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-diethyl-7-(3-hydroxybenzyl)xanthine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C22H29N5O3/c1-3-25-19-18(20(29)26(4-2)22(25)30)27(14-15-9-8-12-17(28)13-15)21(24-19)23-16-10-6-5-7-11-16/h8-9,12-13,16,28H,3-7,10-11,14H2,1-2H3,(H,23,24)