8-cyclopentyl-3-[3-(4-hydroxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-[3-(4-hydroxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-3-[3-(4-hydroxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-(4-hydroxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-3-[3-(4-hydroxyphenyl)propyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-3-[3-(4-hydroxyphenyl)propyl]-1-propyl-7H-purine-2,6-quinone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCC4=CC=C(C=C4)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCC4=CC=C(C=C4)O

InChI

InChI=1S/C22H28N4O3/c1-2-13-26-21(28)18-20(24-19(23-18)16-7-3-4-8-16)25(22(26)29)14-5-6-15-9-11-17(27)12-10-15/h9-12,16,27H,2-8,13-14H2,1H3,(H,23,24)