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

Systemtic Name: 4-phenyl-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: 4-phenyl-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: 4-phenyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-25-16-9-15(10-17(26-2)19(16)27-3)23-20-22-12-14(11-21)18(24-20)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,22,23,24)