5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]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#N)N)C)C

Isomeric SMILES

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

InChI

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