5-phenylmethoxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyran-4-one

Systemtic Name: 5-phenylmethoxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyran-4-one Openeye Name: 5-benzyloxy-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one CAS Name: 2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-phenylmethoxy-4-pyranone IUPAC Name: 5-phenylmethoxy-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one Traditional Name: 5-benzoxy-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyran-4-one Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=O)C(=CO3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=O)C(=CO3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c26-17-13-18(29-15-19(17)28-14-16-5-2-1-3-6-16)20(27)24-9-11-25(12-10-24)21-22-7-4-8-23-21/h1-8,13,15H,9-12,14H2