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

Systemtic Name: 3-(6-aminopurin-9-yl)-6-methyl-hept-5-en-2-one Openeye Name: 3-(6-aminopurin-9-yl)-6-methyl-hept-5-en-2-one CAS Name: 3-(6-aminopurin-9-yl)-6-methyl-5-hepten-2-one IUPAC Name: 3-(6-aminopurin-9-yl)-6-methylhept-5-en-2-one Traditional Name: 3-adenin-9-yl-6-methyl-hept-5-en-2-one Formula: C13H17N5O MolecularWeight: 259.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O/c1-8(2)4-5-10(9(3)19)18-7-17-11-12(14)15-6-16-13(11)18/h4,6-7,10H,5H2,1-3H3,(H2,14,15,16)