2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-one

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-one Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-one CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-5,6-dimethyl-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-pyrimidinone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-4-one Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-3-[2-keto-2-(4-phenylpiperazino)ethyl]-5,6-dimethyl-pyrimidin-4-one Formula: C23H28N6O2 MolecularWeight: 420.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C(C(=O)N2CC(=O)N3CCN(CC3)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C(C(=O)N2CC(=O)N3CCN(CC3)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C23H28N6O2/c1-16-14-17(2)29(25-16)23-24-19(4)18(3)22(31)28(23)15-21(30)27-12-10-26(11-13-27)20-8-6-5-7-9-20/h5-9,14H,10-13,15H2,1-4H3