2-[3,5-dimethyl-4-(2-oxidanylphenoxy)pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3,5-dimethyl-4-(2-oxidanylphenoxy)pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethyl-1-pyrazolyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=C(C(=N2)C)OC3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=C(C(=N2)C)OC3=CC=CC=C3O)C

InChI

InChI=1S/C16H16N4O3/c1-9-8-14(22)18-16(17-9)20-11(3)15(10(2)19-20)23-13-7-5-4-6-12(13)21/h4-8,21H,1-3H3,(H,17,18,22)