5-azanyl-3-ethyl-1-(2-methyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-ethyl-1-(2-methyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-ethyl-1-(2-methyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-ethyl-1-(2-methyl-6-phenoxy-4-pyrimidinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-ethyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-ethyl-1-(2-methyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile Formula: C17H16N6O MolecularWeight: 320.34854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C)OC3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C)OC3=CC=CC=C3

InChI

InChI=1S/C17H16N6O/c1-3-14-13(10-18)17(19)23(22-14)15-9-16(21-11(2)20-15)24-12-7-5-4-6-8-12/h4-9H,3,19H2,1-2H3