6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4-methyl-coumarin Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c1-12-13-9-15(21)16(26)11-17(13)29-19(28)14(12)10-18(27)24-5-7-25(8-6-24)20-22-3-2-4-23-20/h2-4,9,11,26H,5-8,10H2,1H3