7-[5-(6-azanyl-8-deuterio-purin-9-yl)pentyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[5-(6-azanyl-8-deuterio-purin-9-yl)pentyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[5-(6-amino-8-deuterio-purin-9-yl)pentyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[5-(6-amino-8-deuterio-9-purinyl)pentyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[5-(6-amino-8-deuteriopurin-9-yl)pentyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[5-(6-amino-8-deuterio-purin-9-yl)pentyl]-1,3-dimethyl-xanthine Formula: C17H21N9O2 MolecularWeight: 384.413902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

[2H]C1=NC2=C(N1CCCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)N=CN=C2N

InChI

InChI=1S/C17H21N9O2/c1-23-15-12(16(27)24(2)17(23)28)25(10-22-15)6-4-3-5-7-26-9-21-11-13(18)19-8-20-14(11)26/h8-10H,3-7H2,1-2H3,(H2,18,19,20)/i9D