1-[9-(6-aminopurin-9-yl)nonyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[9-(6-aminopurin-9-yl)nonyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[9-(6-aminopurin-9-yl)nonyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[9-(6-aminopurin-9-yl)nonyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[9-(6-aminopurin-9-yl)nonyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(9-adenin-9-ylnonyl)-3,7-dimethyl-xanthine Formula: C21H29N9O2 MolecularWeight: 439.51406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C21H29N9O2/c1-27-13-26-19-16(27)20(31)30(21(32)28(19)2)11-9-7-5-3-4-6-8-10-29-14-25-15-17(22)23-12-24-18(15)29/h12-14H,3-11H2,1-2H3,(H2,22,23,24)