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

Systemtic Name: 8-(cyclohexylamino)-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(4-hydroxybenzyl)-3-methyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C19H23N5O3/c1-23-16-15(17(26)22-19(23)27)24(11-12-7-9-14(25)10-8-12)18(21-16)20-13-5-3-2-4-6-13/h7-10,13,25H,2-6,11H2,1H3,(H,20,21)(H,22,26,27)