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

Systemtic Name: 3-[1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]propanenitrile Openeye Name: 3-(1-methyl-2,6-dioxo-7H-purin-3-yl)propanenitrile CAS Name: 3-(1-methyl-2,6-dioxo-7H-purin-3-yl)propanenitrile IUPAC Name: 3-(1-methyl-2,6-dioxo-7H-purin-3-yl)propanenitrile Traditional Name: 3-(2,6-diketo-1-methyl-7H-purin-3-yl)propionitrile Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2)N(C1=O)CCC#N

Isomeric SMILES

CN1C(=O)C2=C(N=CN2)N(C1=O)CCC#N

InChI

InChI=1S/C9H9N5O2/c1-13-8(15)6-7(12-5-11-6)14(9(13)16)4-2-3-10/h5H,2,4H2,1H3,(H,11,12)