1,8-dimethyl-9-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 1,8-dimethyl-9-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione CAS Name: 1,8-dimethyl-9-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 9-benzyl-1,8-dimethyl-3H-purine-2,6-dione Traditional Name: 9-benzyl-1,8-dimethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C

InChI

InChI=1S/C14H14N4O2/c1-9-15-11-12(16-14(20)17(2)13(11)19)18(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,20)