1-[10-(6-azanyl-8-deuterio-purin-9-yl)decyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[10-(6-azanyl-8-deuterio-purin-9-yl)decyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[10-(6-amino-8-deuterio-purin-9-yl)decyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-(6-amino-8-deuterio-9-purinyl)decyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-(6-amino-8-deuteriopurin-9-yl)decyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-(6-amino-8-deuterio-purin-9-yl)decyl]-3,7-dimethyl-xanthine Formula: C22H31N9O2 MolecularWeight: 454.546802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

[2H]C1=NC2=C(N1CCCCCCCCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N=CN=C2N

InChI

InChI=1S/C22H31N9O2/c1-28-14-27-20-17(28)21(32)31(22(33)29(20)2)12-10-8-6-4-3-5-7-9-11-30-15-26-16-18(23)24-13-25-19(16)30/h13-15H,3-12H2,1-2H3,(H2,23,24,25)/i15D