3-(6-aminopurin-9-yl)-5-methyl-hexan-2-one

Systemtic Name: 3-(6-aminopurin-9-yl)-5-methyl-hexan-2-one Openeye Name: 3-(6-aminopurin-9-yl)-5-methyl-hexan-2-one CAS Name: 3-(6-aminopurin-9-yl)-5-methyl-2-hexanone IUPAC Name: 3-(6-aminopurin-9-yl)-5-methylhexan-2-one Traditional Name: 3-adenin-9-yl-5-methyl-hexan-2-one Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(C)CC(C(=O)C)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C12H17N5O/c1-7(2)4-9(8(3)18)17-6-16-10-11(13)14-5-15-12(10)17/h5-7,9H,4H2,1-3H3,(H2,13,14,15)