2-[4-methyl-1,3-bis(oxidanylidene)-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-methyl-1,3-bis(oxidanylidene)-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl]ethanenitrile Openeye Name: 2-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)acetonitrile CAS Name: 2-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)acetonitrile IUPAC Name: 2-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)acetonitrile Traditional Name: 2-(1,3-diketo-4-methyl-6-phenyl-7,8-dihydropurin[7,8-a]imidazol-2-yl)acetonitrile Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC#N)N3CCN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC#N)N3CCN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C16H14N6O2/c1-19-13-12(14(23)22(8-7-17)16(19)24)21-10-9-20(15(21)18-13)11-5-3-2-4-6-11/h2-6H,8-10H2,1H3