2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(3-fluoro-4-methyl-phenyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3-fluoro-4-methylphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(3-fluoro-4-methylphenyl)methylamino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(3-fluoro-4-methyl-benzyl)amino]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C20H17FN4O2 MolecularWeight: 364.372983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N)F

InChI

InChI=1S/C20H17FN4O2/c1-12-3-4-13(9-17(12)21)11-23-20-24-18(16(10-22)19(26)25-20)14-5-7-15(27-2)8-6-14/h3-9H,11H2,1-2H3,(H2,23,24,25,26)