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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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