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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

[2H]C1=NC2=C(N1CCCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N=CN=C2N

InChI

InChI=1S/C17H21N9O2/c1-23-9-22-15-12(23)16(27)26(17(28)24(15)2)7-5-3-4-6-25-10-21-11-13(18)19-8-20-14(11)25/h8-10H,3-7H2,1-2H3,(H2,18,19,20)/i10D