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

Systemtic Name: 1-[7-(6-azanyl-8-deuterio-purin-9-yl)heptyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[7-(6-amino-8-deuterio-purin-9-yl)heptyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[7-(6-amino-8-deuterio-9-purinyl)heptyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[7-(6-amino-8-deuteriopurin-9-yl)heptyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[7-(6-amino-8-deuterio-purin-9-yl)heptyl]-3,7-dimethyl-xanthine Formula: C19H25N9O2 MolecularWeight: 412.467062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

[2H]C1=NC2=C(N1CCCCCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N=CN=C2N

InChI

InChI=1S/C19H25N9O2/c1-25-11-24-17-14(25)18(29)28(19(30)26(17)2)9-7-5-3-4-6-8-27-12-23-13-15(20)21-10-22-16(13)27/h10-12H,3-9H2,1-2H3,(H2,20,21,22)/i12D