N,N-bis(cyanomethyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N,N-bis(cyanomethyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N,N-bis(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N,N-bis(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N,N-bis(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N,N-bis(cyanomethyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C13H13N7O3 MolecularWeight: 315.28742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CC#N)CC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CC#N)CC#N

InChI

InChI=1S/C13H13N7O3/c1-17-11-10(12(22)18(2)13(17)23)20(8-16-11)7-9(21)19(5-3-14)6-4-15/h8H,5-7H2,1-2H3