6-[8-(aminomethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]-2-methyl-hexanenitrile

Systemtic Name: 6-[8-(aminomethyl)-3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]-2-methyl-hexanenitrile Openeye Name: 6-[8-(aminomethyl)-3-methyl-2,6-dioxo-7H-purin-1-yl]-2-methyl-hexanenitrile CAS Name: 6-[8-(aminomethyl)-3-methyl-2,6-dioxo-7H-purin-1-yl]-2-methylhexanenitrile IUPAC Name: 6-[8-(aminomethyl)-3-methyl-2,6-dioxo-7H-purin-1-yl]-2-methylhexanenitrile Traditional Name: 6-[8-(aminomethyl)-2,6-diketo-3-methyl-7H-purin-1-yl]-2-methyl-hexanenitrile Formula: C14H20N6O2 MolecularWeight: 304.3476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)CN)N(C1=O)C)C#N

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)CN)N(C1=O)C)C#N

InChI

InChI=1S/C14H20N6O2/c1-9(7-15)5-3-4-6-20-13(21)11-12(19(2)14(20)22)18-10(8-16)17-11/h9H,3-6,8,16H2,1-2H3,(H,17,18)