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

Systemtic Name: 5-azanyl-1-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-methoxyphenyl)-2-methyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2C(=C(C=N2)C#N)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC(=CC(=N1)N2C(=C(C=N2)C#N)N)C3=CC=C(C=C3)OC

InChI

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