4-[2-(imidazol-1-ylmethyl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(imidazol-1-ylmethyl)phenyl]-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[2-(imidazol-1-ylmethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: 4-[2-(1-imidazolylmethyl)phenyl]-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(imidazol-1-ylmethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[2-(imidazol-1-ylmethyl)phenyl]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CC=CC=C3CN4C=CN=C4)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CC=CC=C3CN4C=CN=C4)C#N

InChI

InChI=1S/C24H22N6O3/c1-31-20-10-18(11-21(32-2)23(20)33-3)28-24-27-13-17(12-25)22(29-24)19-7-5-4-6-16(19)14-30-9-8-26-15-30/h4-11,13,15H,14H2,1-3H3,(H,27,28,29)