5-azanyl-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-methyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-methyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-4-pyrimidinyl]-3-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-methyl-pyrazole-4-carbonitrile Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2)N3C(=C(C(=N3)C)C#N)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2)N3C(=C(C(=N3)C)C#N)N)C

InChI

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