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

Systemtic Name: 2-[1-(cyanomethyl)-7-methyl-8-nitro-2,6-bis(oxidanylidene)purin-3-yl]ethanenitrile Openeye Name: 2-[1-(cyanomethyl)-7-methyl-8-nitro-2,6-dioxo-purin-3-yl]acetonitrile CAS Name: 2-[1-(cyanomethyl)-7-methyl-8-nitro-2,6-dioxo-3-purinyl]acetonitrile IUPAC Name: 2-[1-(cyanomethyl)-7-methyl-8-nitro-2,6-dioxopurin-3-yl]acetonitrile Traditional Name: 2-[1-(cyanomethyl)-2,6-diketo-7-methyl-8-nitro-purin-3-yl]acetonitrile Formula: C10H7N7O4 MolecularWeight: 289.20708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC#N)CC#N

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC#N)CC#N

InChI

InChI=1S/C10H7N7O4/c1-14-6-7(13-9(14)17(20)21)15(4-2-11)10(19)16(5-3-12)8(6)18/h4-5H2,1H3