1-[4-(6-aminopurin-9-yl)butyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[4-(6-aminopurin-9-yl)butyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[4-(6-aminopurin-9-yl)butyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[4-(6-aminopurin-9-yl)butyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[4-(6-aminopurin-9-yl)butyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-adenin-9-ylbutyl)-3,7-dimethyl-xanthine Formula: C16H19N9O2 MolecularWeight: 369.38116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3C=NC4=C3N=CN=C4N

InChI

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