7-[3-(6-aminopurin-9-yl)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(6-aminopurin-9-yl)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(6-aminopurin-9-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(6-aminopurin-9-yl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(6-aminopurin-9-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-adenin-9-ylpropyl)-1,3-dimethyl-xanthine Formula: C15H17N9O2 MolecularWeight: 355.35458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C15H17N9O2/c1-21-13-10(14(25)22(2)15(21)26)23(8-20-13)4-3-5-24-7-19-9-11(16)17-6-18-12(9)24/h6-8H,3-5H2,1-2H3,(H2,16,17,18)