7-[2-(2-azanyl-6-phenylmethoxy-purin-9-yl)oxypropyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(2-azanyl-6-phenylmethoxy-purin-9-yl)oxypropyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2-amino-6-benzyloxy-purin-9-yl)oxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(2-amino-6-phenylmethoxy-9-purinyl)oxy]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2-amino-6-phenylmethoxypurin-9-yl)oxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2-amino-6-benzoxy-purin-9-yl)oxypropyl]-1,3-dimethyl-xanthine Formula: C22H23N9O4 MolecularWeight: 477.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)ON3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N

Isomeric SMILES

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)ON3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N

InChI

InChI=1S/C22H23N9O4/c1-13(9-30-11-25-18-16(30)20(32)29(3)22(33)28(18)2)35-31-12-24-15-17(31)26-21(23)27-19(15)34-10-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,23,26,27)