[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazino]-(4-pyridyl)methanone Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)C(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)C(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C21H28N6O/c1-16-15-17(2)24-21(23-16)27-9-5-19(6-10-27)25-11-13-26(14-12-25)20(28)18-3-7-22-8-4-18/h3-4,7-8,15,19H,5-6,9-14H2,1-2H3