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

Systemtic Name: 4-methyl-5,7-bis(oxidanyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 5,7-dihydroxy-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4-methyl-coumarin Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H20N4O5/c1-12-14(19(28)29-16-10-13(25)9-15(26)18(12)16)11-17(27)23-5-7-24(8-6-23)20-21-3-2-4-22-20/h2-4,9-10,25-26H,5-8,11H2,1H3