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

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C16H14N6O MolecularWeight: 306.32196

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O/c1-10-3-11(2)5-13(4-10)23-15-6-14(19-9-20-15)22-16(18)12(7-17)8-21-22/h3-6,8-9H,18H2,1-2H3