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

Systemtic Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-7-[(4-hydroxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(cyclopentylamino)-7-(4-hydroxybenzyl)-3-methyl-xanthine Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C18H21N5O3/c1-22-15-14(16(25)21-18(22)26)23(10-11-6-8-13(24)9-7-11)17(20-15)19-12-4-2-3-5-12/h6-9,12,24H,2-5,10H2,1H3,(H,19,20)(H,21,25,26)