6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-methyl-hexanenitrile

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-methyl-hexanenitrile Openeye Name: 6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-methyl-hexanenitrile CAS Name: 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-methylhexanenitrile IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-methylhexanenitrile Traditional Name: 6-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-methyl-hexanenitrile Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C#N

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C#N

InChI

InChI=1S/C14H19N5O2/c1-10(8-15)6-4-5-7-19-13(20)11-12(16-9-17(11)2)18(3)14(19)21/h9-10H,4-7H2,1-3H3