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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)O

InChI

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