5-azanyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenyl-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-methylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6O/c1-14-7-9-17(10-8-14)28-19-11-18(27-20(23)16(12-22)13-24-27)25-21(26-19)15-5-3-2-4-6-15/h2-11,13H,23H2,1H3