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

Systemtic Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclopentylamino)-7-(4-hydroxybenzyl)-1,3-dimethyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)O

InChI

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