4,7-dimethyl-5-oxidanyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4,7-dimethyl-5-oxidanyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 5-hydroxy-4,7-dimethyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5-hydroxy-4,7-dimethyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 5-hydroxy-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4,7-dimethyl-coumarin Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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