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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

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