7-[4-(6-azanyl-8-deuterio-purin-9-yl)butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-(6-azanyl-8-deuterio-purin-9-yl)butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-(6-amino-8-deuterio-purin-9-yl)butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-(6-amino-8-deuterio-9-purinyl)butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-(6-amino-8-deuteriopurin-9-yl)butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(6-amino-8-deuterio-purin-9-yl)butyl]-1,3-dimethyl-xanthine Formula: C16H19N9O2 MolecularWeight: 370.387322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

[2H]C1=NC2=C(N1CCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)N=CN=C2N

InChI

InChI=1S/C16H19N9O2/c1-22-14-11(15(26)23(2)16(22)27)24(9-21-14)5-3-4-6-25-8-20-10-12(17)18-7-19-13(10)25/h7-9H,3-6H2,1-2H3,(H2,17,18,19)/i8D