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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=C(C=C3)O)NC4CCCC4

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=C(C=C3)O)NC4CCCC4

InChI

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