(4-methyl-3-oxidanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methyl-3-oxidanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-hydroxy-4-methyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-hydroxy-4-methylphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-hydroxy-4-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-hydroxy-4-methyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C16H18N4O2/c1-12-3-4-13(11-14(12)21)15(22)19-7-9-20(10-8-19)16-17-5-2-6-18-16/h2-6,11,21H,7-10H2,1H3