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

Systemtic Name: 8-tert-butyl-7-(phenylmethyl)-1-propyl-3H-purine-2,6-dione Openeye Name: 7-benzyl-8-tert-butyl-1-propyl-3H-purine-2,6-dione CAS Name: 8-tert-butyl-7-(phenylmethyl)-1-propyl-3H-purine-2,6-dione IUPAC Name: 7-benzyl-8-tert-butyl-1-propyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-8-tert-butyl-1-propyl-xanthine Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C19H24N4O2/c1-5-11-22-16(24)14-15(21-18(22)25)20-17(19(2,3)4)23(14)12-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3,(H,21,25)