3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-methyl-amino]propanenitrile Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methyl-amino]propanenitrile CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]propanenitrile IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-methylamino]propanenitrile Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-methyl-amino]propionitrile Formula: C11H14N6O2 MolecularWeight: 262.26786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCC#N

InChI

InChI=1S/C11H14N6O2/c1-15(6-4-5-12)10-13-7-8(14-10)16(2)11(19)17(3)9(7)18/h4,6H2,1-3H3,(H,13,14)