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

Systemtic Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(6-aminopurin-9-yl)ethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-adenin-9-ylethyl)-3,7-dimethyl-xanthine Formula: C14H15N9O2 MolecularWeight: 341.328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C14H15N9O2/c1-20-6-19-12-9(20)13(24)23(14(25)21(12)2)4-3-22-7-18-8-10(15)16-5-17-11(8)22/h5-7H,3-4H2,1-2H3,(H2,15,16,17)