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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C=NC4=C3N=CN=C4N

InChI

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