2-[8-chloranyl-1-(cyanomethyl)-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethanenitrile

Systemtic Name: 2-[8-chloranyl-1-(cyanomethyl)-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethanenitrile Openeye Name: 2-[8-chloro-1-(cyanomethyl)-2,6-dioxo-7H-purin-3-yl]acetonitrile CAS Name: 2-[8-chloro-1-(cyanomethyl)-2,6-dioxo-7H-purin-3-yl]acetonitrile IUPAC Name: 2-[8-chloro-1-(cyanomethyl)-2,6-dioxo-7H-purin-3-yl]acetonitrile Traditional Name: 2-[8-chloro-1-(cyanomethyl)-2,6-diketo-7H-purin-3-yl]acetonitrile Formula: C9H5ClN6O2 MolecularWeight: 264.628

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)N1C2=C(C(=O)N(C1=O)CC#N)NC(=N2)Cl

Isomeric SMILES

C(C#N)N1C2=C(C(=O)N(C1=O)CC#N)NC(=N2)Cl

InChI

InChI=1S/C9H5ClN6O2/c10-8-13-5-6(14-8)15(3-1-11)9(18)16(4-2-12)7(5)17/h3-4H2,(H,13,14)