4-[4-(hydroxymethyl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(hydroxymethyl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(hydroxymethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(hydroxymethyl)phenyl]-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(hydroxymethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: 4-(4-methylolphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CC=C(C=C3)CO)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CC=C(C=C3)CO)C#N

InChI

InChI=1S/C21H20N4O4/c1-27-17-8-16(9-18(28-2)20(17)29-3)24-21-23-11-15(10-22)19(25-21)14-6-4-13(12-26)5-7-14/h4-9,11,26H,12H2,1-3H3,(H,23,24,25)