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

Systemtic Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-pyrimidin-4-ylphenyl)phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-pyrimidin-4-ylphenyl)phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-methoxy-2-methyl-4-[[2-methyl-5-[3-(4-pyrimidinyl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-methoxy-2-methyl-4-[[2-methyl-5-(3-pyrimidin-4-ylphenyl)phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-methoxy-2-methyl-4-[2-methyl-5-[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=C(C=C1)C2=CC(=CC=C2)C3=NC=NC=C3)CN4C(=NN(C4=O)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=CC=C2)C3=NC=NC=C3)CN4C(=NN(C4=O)C)OC

InChI

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