3-[azanyl(1,3-benzoxazol-2-yl)amino]-2,2-dideuterio-propanenitrile

Systemtic Name: 3-[azanyl(1,3-benzoxazol-2-yl)amino]-2,2-dideuterio-propanenitrile Openeye Name: 3-[amino(1,3-benzoxazol-2-yl)amino]-2,2-dideuterio-propanenitrile CAS Name: 3-[amino(1,3-benzoxazol-2-yl)amino]-2,2-dideuteriopropanenitrile IUPAC Name: 3-[amino(1,3-benzoxazol-2-yl)amino]-2,2-dideuteriopropanenitrile Traditional Name: 3-[amino(1,3-benzoxazol-2-yl)amino]-2,2-dideuterio-propionitrile Formula: C10H10N4O MolecularWeight: 204.224924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)N(CCC#N)N

Isomeric SMILES

[2H]C([2H])(CN(C1=NC2=CC=CC=C2O1)N)C#N

InChI

InChI=1S/C10H10N4O/c11-6-3-7-14(12)10-13-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,7,12H2/i3D2