8-imidazol-1-yl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-imidazol-1-yl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-imidazol-1-yl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-imidazolyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-imidazol-1-yl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-imidazol-1-yl-1,3-dimethyl-xanthine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C17H16N6O2/c1-20-14-13(15(24)21(2)17(20)25)23(10-12-6-4-3-5-7-12)16(19-14)22-9-8-18-11-22/h3-9,11H,10H2,1-2H3