4,8-dimethyl-7-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one Openeye Name: 4,8-dimethyl-7-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]chromen-2-one CAS Name: 4,8-dimethyl-7-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4,8-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]-4,8-dimethyl-coumarin Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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