3-azanyl-6-(2,2-dimethyl-3-oxidanyl-3H-1-benzofuran-7-yl)-5-methyl-pyrazine-2-carbonitrile

Systemtic Name: 3-azanyl-6-(2,2-dimethyl-3-oxidanyl-3H-1-benzofuran-7-yl)-5-methyl-pyrazine-2-carbonitrile Openeye Name: 3-amino-6-(3-hydroxy-2,2-dimethyl-3H-benzofuran-7-yl)-5-methyl-pyrazine-2-carbonitrile CAS Name: 3-amino-6-(3-hydroxy-2,2-dimethyl-3H-benzofuran-7-yl)-5-methyl-2-pyrazinecarbonitrile IUPAC Name: 3-amino-6-(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylpyrazine-2-carbonitrile Traditional Name: 3-amino-6-(3-hydroxy-2,2-dimethyl-coumaran-7-yl)-5-methyl-pyrazinonitrile Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N=C1C2=C3C(=CC=C2)C(C(O3)(C)C)O)C#N)N

Isomeric SMILES

CC1=NC(=C(N=C1C2=C3C(=CC=C2)C(C(O3)(C)C)O)C#N)N

InChI

InChI=1S/C16H16N4O2/c1-8-12(20-11(7-17)15(18)19-8)9-5-4-6-10-13(9)22-16(2,3)14(10)21/h4-6,14,21H,1-3H3,(H2,18,19)