4,7-dimethyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one

Systemtic Name: 4,7-dimethyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Openeye Name: 4,7-dimethyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one CAS Name: 4,7-dimethyl-5-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4,7-dimethyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Traditional Name: 5-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethoxy]-4,7-dimethyl-coumarin Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O4/c1-14-10-16(20-15(2)12-19(27)29-17(20)11-14)28-13-18(26)24-6-8-25(9-7-24)21-22-4-3-5-23-21/h3-5,10-12H,6-9,13H2,1-2H3