7-(phenylmethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(phenylmethyl)-3-propyl-purine-2,6-dione Openeye Name: 7-benzyl-3-propyl-purine-2,6-dione CAS Name: 7-(phenylmethyl)-3-propylpurine-2,6-dione IUPAC Name: 7-benzyl-3-propylpurine-2,6-dione Traditional Name: 7-benzyl-3-propyl-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2/c1-2-8-19-13-12(14(20)17-15(19)21)18(10-16-13)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,20,21)