1,3,9-trimethyl-2,6,8-tris(oxidanylidene)purine-7-carbonitrile

Systemtic Name: 1,3,9-trimethyl-2,6,8-tris(oxidanylidene)purine-7-carbonitrile Openeye Name: 1,3,9-trimethyl-2,6,8-trioxo-purine-7-carbonitrile CAS Name: 1,3,9-trimethyl-2,6,8-trioxo-7-purinecarbonitrile IUPAC Name: 1,3,9-trimethyl-2,6,8-trioxopurine-7-carbonitrile Traditional Name: 2,6,8-triketo-1,3,9-trimethyl-purine-7-carbonitrile Formula: C9H9N5O3 MolecularWeight: 235.19946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2C)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2C)C#N

InChI

InChI=1S/C9H9N5O3/c1-11-6-5(7(15)13(3)8(11)16)14(4-10)9(17)12(6)2/h1-3H3