5-methoxy-2-methyl-4-[[3-(2-methyl-3-pyrimidin-4-yl-phenyl)phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-methoxy-2-methyl-4-[[3-(2-methyl-3-pyrimidin-4-yl-phenyl)phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-methoxy-2-methyl-4-[[3-(2-methyl-3-pyrimidin-4-yl-phenyl)phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-methoxy-2-methyl-4-[[3-[2-methyl-3-(4-pyrimidinyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-methoxy-2-methyl-4-[[3-(2-methyl-3-pyrimidin-4-ylphenyl)phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-methoxy-2-methyl-4-[3-[2-methyl-3-(4-pyrimidyl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C2=NC=NC=C2)C3=CC(=CC=C3)CN4C(=NN(C4=O)C)OC

Isomeric SMILES

CC1=C(C=CC=C1C2=NC=NC=C2)C3=CC(=CC=C3)CN4C(=NN(C4=O)C)OC

InChI

InChI=1S/C22H21N5O2/c1-15-18(8-5-9-19(15)20-10-11-23-14-24-20)17-7-4-6-16(12-17)13-27-21(29-3)25-26(2)22(27)28/h4-12,14H,13H2,1-3H3