3-(7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-4-propoxy-benzenecarbonitrile

Systemtic Name: 3-(7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-4-propoxy-benzenecarbonitrile Openeye Name: 3-(7-oxotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxy-benzonitrile CAS Name: 3-(7-oxo-5-triazolo[4,5-d]pyrimidinyl)-4-propoxybenzonitrile IUPAC Name: 3-(7-oxotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzonitrile Traditional Name: 3-(7-ketotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxy-benzonitrile Formula: C14H10N6O2 MolecularWeight: 294.2682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=NN=NC3=N2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=NN=NC3=N2

InChI

InChI=1S/C14H10N6O2/c1-2-5-22-10-4-3-8(7-15)6-9(10)12-16-13-11(14(21)17-12)18-20-19-13/h3-4,6H,2,5H2,1H3