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

Systemtic Name: 6,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-6,7-dimethoxy-4-methyl-coumarin Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5/c1-14-15-11-18(29-2)19(30-3)13-17(15)31-21(28)16(14)12-20(27)25-7-9-26(10-8-25)22-23-5-4-6-24-22/h4-6,11,13H,7-10,12H2,1-3H3