6-(4-methoxyphenyl)-4-oxidanylidene-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-oxidanylidene-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-oxo-2-[[2-(1-pyrazolylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[[2-(pyrazol-1-ylmethyl)benzyl]amino]-1H-pyrimidine-5-carbonitrile Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC=CC=C3CN4C=CC=N4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC=CC=C3CN4C=CC=N4)C#N

InChI

InChI=1S/C23H20N6O2/c1-31-19-9-7-16(8-10-19)21-20(13-24)22(30)28-23(27-21)25-14-17-5-2-3-6-18(17)15-29-12-4-11-26-29/h2-12H,14-15H2,1H3,(H2,25,27,28,30)