8-tert-butyl-3-(2-hydroxyethyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-tert-butyl-3-(2-hydroxyethyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-tert-butyl-3-(2-hydroxyethyl)-1-propyl-purine-2,6-dione CAS Name: 8-tert-butyl-3-(2-hydroxyethyl)-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-tert-butyl-3-(2-hydroxyethyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-tert-butyl-3-(2-hydroxyethyl)-1-propyl-xanthine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCO

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCO

InChI

InChI=1S/C21H28N4O3/c1-5-11-24-18(27)16-17(23(12-13-26)20(24)28)22-19(21(2,3)4)25(16)14-15-9-7-6-8-10-15/h6-10,26H,5,11-14H2,1-4H3