2-[[2-(hydroxymethyl)-4-methyl-phenyl]amino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2-(hydroxymethyl)-4-methyl-phenyl]amino]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(hydroxymethyl)-4-methyl-anilino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(hydroxymethyl)-4-methylanilino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(hydroxymethyl)-4-methylanilino]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(4-methyl-2-methylol-anilino)-1H-pyrimidine-5-carbonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N)CO

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N)CO

InChI

InChI=1S/C20H18N4O3/c1-12-3-8-17(14(9-12)11-25)22-20-23-18(16(10-21)19(26)24-20)13-4-6-15(27-2)7-5-13/h3-9,25H,11H2,1-2H3,(H2,22,23,24,26)