7-[2-(6-azanyl-8-deuterio-purin-9-yl)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(6-azanyl-8-deuterio-purin-9-yl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(6-amino-8-deuterio-purin-9-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(6-amino-8-deuterio-9-purinyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(6-amino-8-deuteriopurin-9-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(6-amino-8-deuterio-purin-9-yl)ethyl]-1,3-dimethyl-xanthine Formula: C14H15N9O2 MolecularWeight: 342.334162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

[2H]C1=NC2=C(N1CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)N=CN=C2N

InChI

InChI=1S/C14H15N9O2/c1-20-12-9(13(24)21(2)14(20)25)22(7-19-12)3-4-23-6-18-8-10(15)16-5-17-11(8)23/h5-7H,3-4H2,1-2H3,(H2,15,16,17)/i6D