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

Systemtic Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-1-ethyl-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclopentylamino)-1-ethyl-7-(4-hydroxybenzyl)-3-methyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)O)NC4CCCC4)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)O)NC4CCCC4)N(C1=O)C

InChI

InChI=1S/C20H25N5O3/c1-3-24-18(27)16-17(23(2)20(24)28)22-19(21-14-6-4-5-7-14)25(16)12-13-8-10-15(26)11-9-13/h8-11,14,26H,3-7,12H2,1-2H3,(H,21,22)