4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-3-keto-butyronitrile Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H14N6O3/c1-7(15)8(4-14)9(20)5-19-6-16-11-10(19)12(21)18(3)13(22)17(11)2/h6,8,15H,5H2,1-3H3