4-methyl-7,8-bis(oxidanyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4-methyl-7,8-bis(oxidanyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 7,8-dihydroxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 7,8-dihydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7,8-dihydroxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 7,8-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=C1C=CC(=C2O)O)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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